@mat3ra/esse 2025.8.14-0 → 2025.8.20-0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (43) hide show
  1. package/dist/js/schemas.json +1 -1
  2. package/dist/js/types.d.ts +89 -3377
  3. package/package.json +1 -1
  4. package/dist/js/example/software_directory/ml/exabyteml.json +0 -6
  5. package/dist/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
  6. package/dist/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
  7. package/dist/js/example/software_directory/ml/unit/execution/score.json +0 -18
  8. package/dist/js/example/software_directory/ml/unit/execution/train.json +0 -29
  9. package/dist/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  10. package/dist/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  11. package/dist/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  12. package/dist/js/schema/software_directory/ml/exabyteml.json +0 -23
  13. package/dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -657
  14. package/dist/js/schema/software_directory/ml/unit/execution/initialize.json +0 -661
  15. package/dist/js/schema/software_directory/ml/unit/execution/score.json +0 -647
  16. package/dist/js/schema/software_directory/ml/unit/execution/train.json +0 -670
  17. package/dist/js/schema/software_directory/ml/unit/execution.json +0 -2636
  18. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -269
  19. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -289
  20. package/dist/js/schema/software_directory/ml/unit/processing/data_transformation.json +0 -293
  21. package/dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -264
  22. package/dist/js/schema/software_directory/ml/unit/processing/feature_selection.json +0 -268
  23. package/dist/js/schema/software_directory/ml/unit/processing.json +0 -564
  24. package/example/software_directory/ml/exabyteml.json +0 -6
  25. package/example/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -17
  26. package/example/software_directory/ml/unit/execution/initialize.json +0 -20
  27. package/example/software_directory/ml/unit/execution/score.json +0 -15
  28. package/example/software_directory/ml/unit/execution/train.json +0 -26
  29. package/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  30. package/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  31. package/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  32. package/schema/software_directory/ml/exabyteml.json +0 -23
  33. package/schema/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -26
  34. package/schema/software_directory/ml/unit/execution/initialize.json +0 -30
  35. package/schema/software_directory/ml/unit/execution/score.json +0 -14
  36. package/schema/software_directory/ml/unit/execution/train.json +0 -39
  37. package/schema/software_directory/ml/unit/execution.json +0 -17
  38. package/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -50
  39. package/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -70
  40. package/schema/software_directory/ml/unit/processing/data_transformation.json +0 -8
  41. package/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -45
  42. package/schema/software_directory/ml/unit/processing/feature_selection.json +0 -8
  43. package/schema/software_directory/ml/unit/processing.json +0 -11
@@ -140,7 +140,19 @@ export interface AtomicSpeciesSchema {
140
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  }[];
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  }
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  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/cell.json */
143
- export type CellSchema = {
143
+ export type CellSchema = CellSchema1 & CellSchema2;
144
+ export type CellSchema2 = {
145
+ /**
146
+ * CASE ( calculation == 'vc-relax' )
147
+ */
148
+ cell_dynamics?: "none" | "sd" | "damp-pr" | "damp-w" | "bfgs";
149
+ } | {
150
+ /**
151
+ * CASE ( calculation == 'vc-md' )
152
+ */
153
+ cell_dynamics?: "none" | "pr" | "w";
154
+ };
155
+ export interface CellSchema1 {
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  /**
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  * Target pressure [KBar] in a variable-cell md or relaxation run.
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  */
@@ -161,17 +173,7 @@ export type CellSchema = {
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  * Select which of the cell parameters should be moved
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  */
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  cell_dofree?: "all" | "ibrav" | "a" | "b" | "c" | "fixa" | "fixb" | "fixc" | "x" | "y" | "xy" | "xz" | "xyz" | "shape" | "volume" | "2Dxy" | "2Dshape" | "epitaxial_ab" | "epitaxial_ac" | "epitaxial_bc";
164
- } & ({
165
- /**
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- * CASE ( calculation == 'vc-relax' )
167
- */
168
- cell_dynamics?: "none" | "sd" | "damp-pr" | "damp-w" | "bfgs";
169
- } | {
170
- /**
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- * CASE ( calculation == 'vc-md' )
172
- */
173
- cell_dynamics?: "none" | "pr" | "w";
174
- });
176
+ }
175
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  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/cell_parameters.json */
176
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  export interface CellParametersSchema {
177
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  /**
@@ -534,7 +536,29 @@ export interface HubbardSchema {
534
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  })[];
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  }
536
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  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/ions.json */
537
- export type IonsSchema = {
539
+ export type IonsSchema = IonsSchema1 & IonsSchema2;
540
+ export type IonsSchema2 = {
541
+ /**
542
+ * CASE: calculation == 'relax'
543
+ */
544
+ ion_dynamics?: "bfgs" | "damp" | "fire";
545
+ } | {
546
+ /**
547
+ * CASE: calculation == 'md'
548
+ */
549
+ ion_dynamics?: "verlet" | "langevin" | "langevin-smc";
550
+ } | {
551
+ /**
552
+ * CASE: calculation == 'vc-relax'
553
+ */
554
+ ion_dynamics?: "bfgs" | "damp";
555
+ } | {
556
+ /**
557
+ * CASE: calculation == 'vc-md'
558
+ */
559
+ ion_dynamics?: "beeman";
560
+ };
561
+ export interface IonsSchema1 {
538
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  ion_positions?: "default" | "from_input";
539
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  ion_velocities?: "default" | "from_input";
540
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  /**
@@ -613,27 +637,7 @@ export type IonsSchema = {
613
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  * Determines the maximum value of dt in the FIRE minimization; dtmax = fire_dtmax*dt
614
638
  */
615
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  fire_dtmax?: number;
616
- } & ({
617
- /**
618
- * CASE: calculation == 'relax'
619
- */
620
- ion_dynamics?: "bfgs" | "damp" | "fire";
621
- } | {
622
- /**
623
- * CASE: calculation == 'md'
624
- */
625
- ion_dynamics?: "verlet" | "langevin" | "langevin-smc";
626
- } | {
627
- /**
628
- * CASE: calculation == 'vc-relax'
629
- */
630
- ion_dynamics?: "bfgs" | "damp";
631
- } | {
632
- /**
633
- * CASE: calculation == 'vc-md'
634
- */
635
- ion_dynamics?: "beeman";
636
- });
640
+ }
637
641
  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/k_points.json */
638
642
  export interface KPointsSchema {
639
643
  card_option?: "tpiba" | "automatic" | "crystal" | "gamma" | "tpiba_b" | "crystal_b" | "tpiba_c" | "crystal_c";
@@ -674,7 +678,8 @@ export interface KPointsSchema {
674
678
  } | null;
675
679
  }
676
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  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x/system.json */
677
- export type SystemSchema = ({
681
+ export type SystemSchema = SystemSchema1 & SystemSchema2;
682
+ export type SystemSchema1 = {
678
683
  /**
679
684
  * @minItems 6
680
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  * @maxItems 6
@@ -687,7 +692,8 @@ export type SystemSchema = ({
687
692
  cosAB?: number;
688
693
  cosAC?: number;
689
694
  cosBC?: number;
690
- }) & {
695
+ };
696
+ export interface SystemSchema2 {
691
697
  ibrav: number;
692
698
  /**
693
699
  * number of atoms in the unit cell (ALL atoms, except if space_group is set, in which case, INEQUIVALENT atoms)
@@ -1051,7 +1057,7 @@ export type SystemSchema = ({
1051
1057
  * Number of activated external ionic force fields.
1052
1058
  */
1053
1059
  nextffield?: number;
1054
- };
1060
+ }
1055
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  /** Schema dist/js/schema/apse/file/applications/espresso/7.2/pw.x.json */
1056
1062
  export interface PwxMainSchema {
1057
1063
  "&CONTROL"?: {
@@ -6398,7 +6404,7 @@ export interface MaterialSchema {
6398
6404
  /**
6399
6405
  * value of this entry
6400
6406
  */
6401
- value: (number | string) | number;
6407
+ value: (number | string | number) | number;
6402
6408
  /**
6403
6409
  * integer id of this entry
6404
6410
  */
@@ -25475,7 +25481,7 @@ export interface IdealCrystalSchema {
25475
25481
  /**
25476
25482
  * value of this entry
25477
25483
  */
25478
- value: (number | string) | number;
25484
+ value: (number | string | number) | number;
25479
25485
  /**
25480
25486
  * integer id of this entry
25481
25487
  */
@@ -30085,7 +30091,7 @@ export interface CrystalSiteSchema {
30085
30091
  /**
30086
30092
  * value of this entry
30087
30093
  */
30088
- value: (number | string) | number;
30094
+ value: (number | string | number) | number;
30089
30095
  /**
30090
30096
  * integer id of this entry
30091
30097
  */
@@ -30355,7 +30361,7 @@ export interface PointDefectSiteSchema {
30355
30361
  /**
30356
30362
  * value of this entry
30357
30363
  */
30358
- value: (number | string) | number;
30364
+ value: (number | string | number) | number;
30359
30365
  /**
30360
30366
  * integer id of this entry
30361
30367
  */
@@ -30633,7 +30639,7 @@ export interface VoidRegionSchema {
30633
30639
  /**
30634
30640
  * value of this entry
30635
30641
  */
30636
- value: (number | string) | number;
30642
+ value: (number | string | number) | number;
30637
30643
  /**
30638
30644
  * integer id of this entry
30639
30645
  */
@@ -30949,7 +30955,7 @@ export interface CrystalSchema {
30949
30955
  /**
30950
30956
  * value of this entry
30951
30957
  */
30952
- value: (number | string) | number;
30958
+ value: (number | string | number) | number;
30953
30959
  /**
30954
30960
  * integer id of this entry
30955
30961
  */
@@ -31287,7 +31293,7 @@ export interface VacuumConfigurationSchema {
31287
31293
  /**
31288
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  * value of this entry
31289
31295
  */
31290
- value: (number | string) | number;
31296
+ value: (number | string | number) | number;
31291
31297
  /**
31292
31298
  * integer id of this entry
31293
31299
  */
@@ -31576,7 +31582,7 @@ export interface CrystalLatticeLinesSchema {
31576
31582
  /**
31577
31583
  * value of this entry
31578
31584
  */
31579
- value: (number | string) | number;
31585
+ value: (number | string | number) | number;
31580
31586
  /**
31581
31587
  * integer id of this entry
31582
31588
  */
@@ -31886,7 +31892,7 @@ export interface CrystalLatticeLinesUniqueRepeatedSchema {
31886
31892
  /**
31887
31893
  * value of this entry
31888
31894
  */
31889
- value: (number | string) | number;
31895
+ value: (number | string | number) | number;
31890
31896
  /**
31891
31897
  * integer id of this entry
31892
31898
  */
@@ -32155,7 +32161,7 @@ export interface CrystalLatticeBaseSchema {
32155
32161
  /**
32156
32162
  * value of this entry
32157
32163
  */
32158
- value: (number | string) | number;
32164
+ value: (number | string | number) | number;
32159
32165
  /**
32160
32166
  * integer id of this entry
32161
32167
  */
@@ -32432,7 +32438,7 @@ export interface NonUniformlyStrainedCrystalConfigurationSchema {
32432
32438
  /**
32433
32439
  * value of this entry
32434
32440
  */
32435
- value: (number | string) | number;
32441
+ value: (number | string | number) | number;
32436
32442
  /**
32437
32443
  * integer id of this entry
32438
32444
  */
@@ -32702,7 +32708,7 @@ export interface UniformlyStrainedCrystalConfigurationSchema {
32702
32708
  /**
32703
32709
  * value of this entry
32704
32710
  */
32705
- value: (number | string) | number;
32711
+ value: (number | string | number) | number;
32706
32712
  /**
32707
32713
  * integer id of this entry
32708
32714
  */
@@ -32971,7 +32977,7 @@ export interface SupercellConfigurationSchema {
32971
32977
  /**
32972
32978
  * value of this entry
32973
32979
  */
32974
- value: (number | string) | number;
32980
+ value: (number | string | number) | number;
32975
32981
  /**
32976
32982
  * integer id of this entry
32977
32983
  */
@@ -33275,7 +33281,7 @@ export interface AtomicLayersSchema {
33275
33281
  /**
33276
33282
  * value of this entry
33277
33283
  */
33278
- value: (number | string) | number;
33284
+ value: (number | string | number) | number;
33279
33285
  /**
33280
33286
  * integer id of this entry
33281
33287
  */
@@ -33578,7 +33584,7 @@ export interface AtomicLayersUniqueSchema {
33578
33584
  /**
33579
33585
  * value of this entry
33580
33586
  */
33581
- value: (number | string) | number;
33587
+ value: (number | string | number) | number;
33582
33588
  /**
33583
33589
  * integer id of this entry
33584
33590
  */
@@ -33871,7 +33877,7 @@ export interface AtomicLayersUniqueRepeatedSchema {
33871
33877
  /**
33872
33878
  * value of this entry
33873
33879
  */
33874
- value: (number | string) | number;
33880
+ value: (number | string | number) | number;
33875
33881
  /**
33876
33882
  * integer id of this entry
33877
33883
  */
@@ -34147,7 +34153,7 @@ export interface CrystalLatticePlanesSchema {
34147
34153
  /**
34148
34154
  * value of this entry
34149
34155
  */
34150
- value: (number | string) | number;
34156
+ value: (number | string | number) | number;
34151
34157
  /**
34152
34158
  * integer id of this entry
34153
34159
  */
@@ -35335,7 +35341,7 @@ export interface PerturbationSchema {
35335
35341
  /**
35336
35342
  * value of this entry
35337
35343
  */
35338
- value: (number | string) | number;
35344
+ value: (number | string | number) | number;
35339
35345
  /**
35340
35346
  * integer id of this entry
35341
35347
  */
@@ -41953,13 +41959,8 @@ export interface SpinPolarizationMixin {
41953
41959
  [k: string]: unknown;
41954
41960
  }
41955
41961
  /** Schema dist/js/schema/model/model_parameters.json */
41956
- export type ModelParameters = {
41957
- hubbardType?: "u";
41958
- spinPolarization?: "collinear" | "non-collinear";
41959
- spinOrbitCoupling?: boolean;
41960
- dispersionCorrection?: "dft-d2" | "dft-d3" | "xdm" | "ts";
41961
- [k: string]: unknown;
41962
- } & ({
41962
+ export type ModelParameters = ModelParameters1 & ModelParameters2;
41963
+ export type ModelParameters2 = {
41963
41964
  functional?: "pz";
41964
41965
  [k: string]: unknown;
41965
41966
  } | {
@@ -41972,7 +41973,14 @@ export type ModelParameters = {
41972
41973
  functional?: "hse06" | "b3lyp";
41973
41974
  } | {
41974
41975
  functional?: "b2plyp";
41975
- });
41976
+ };
41977
+ export interface ModelParameters1 {
41978
+ hubbardType?: "u";
41979
+ spinPolarization?: "collinear" | "non-collinear";
41980
+ spinOrbitCoupling?: boolean;
41981
+ dispersionCorrection?: "dft-d2" | "dft-d3" | "xdm" | "ts";
41982
+ [k: string]: unknown;
41983
+ }
41976
41984
  /** Schema dist/js/schema/model/model_without_method.json */
41977
41985
  export interface ModelWithoutMethodSchemaBase {
41978
41986
  /**
@@ -44171,7 +44179,18 @@ export interface ModelLocalDensityApproximation {
44171
44179
  tags?: string[];
44172
44180
  }
44173
44181
  /** Schema dist/js/schema/models_directory/legacy/dft.json */
44174
- export type LegacyModelDensityFunctionalTheory = {
44182
+ export type LegacyModelDensityFunctionalTheory = LegacyModelDensityFunctionalTheory1 & LegacyModelDensityFunctionalTheory2;
44183
+ export type LegacyModelDensityFunctionalTheory2 = {
44184
+ subtype?: "lda";
44185
+ functional?: "pz" | "pw" | "vwn" | "other";
44186
+ } | {
44187
+ subtype?: "gga";
44188
+ functional?: "pbe" | "pbesol" | "pw91" | "other";
44189
+ } | {
44190
+ subtype?: "hybrid";
44191
+ functional?: "b3lyp" | "hse06";
44192
+ };
44193
+ export interface LegacyModelDensityFunctionalTheory1 {
44175
44194
  /**
44176
44195
  * general type of the model, eg. `dft`
44177
44196
  */
@@ -44199,18 +44218,9 @@ export type LegacyModelDensityFunctionalTheory = {
44199
44218
  data?: {};
44200
44219
  };
44201
44220
  [k: string]: unknown;
44202
- } & ({
44203
- subtype?: "lda";
44204
- functional?: "pz" | "pw" | "vwn" | "other";
44205
- } | {
44206
- subtype?: "gga";
44207
- functional?: "pbe" | "pbesol" | "pw91" | "other";
44208
- } | {
44209
- subtype?: "hybrid";
44210
- functional?: "b3lyp" | "hse06";
44211
- });
44221
+ }
44212
44222
  /**
44213
- * This interface was referenced by `undefined`'s JSON-Schema
44223
+ * This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
44214
44224
  * via the `definition` "lda".
44215
44225
  */
44216
44226
  export interface Lda {
@@ -44218,7 +44228,7 @@ export interface Lda {
44218
44228
  functional?: "pz" | "pw" | "vwn" | "other";
44219
44229
  }
44220
44230
  /**
44221
- * This interface was referenced by `undefined`'s JSON-Schema
44231
+ * This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
44222
44232
  * via the `definition` "gga".
44223
44233
  */
44224
44234
  export interface Gga {
@@ -44226,7 +44236,7 @@ export interface Gga {
44226
44236
  functional?: "pbe" | "pbesol" | "pw91" | "other";
44227
44237
  }
44228
44238
  /**
44229
- * This interface was referenced by `undefined`'s JSON-Schema
44239
+ * This interface was referenced by `LegacyModelDensityFunctionalTheory1`'s JSON-Schema
44230
44240
  * via the `definition` "hybrid".
44231
44241
  */
44232
44242
  export interface Hybrid {
@@ -45635,7 +45645,7 @@ export type AtomicLabelsSchema = {
45635
45645
  /**
45636
45646
  * value of this entry
45637
45647
  */
45638
- value: (number | string) | number;
45648
+ value: (number | string | number) | number;
45639
45649
  /**
45640
45650
  * integer id of this entry
45641
45651
  */
@@ -45706,7 +45716,7 @@ export interface BasisSchema {
45706
45716
  /**
45707
45717
  * value of this entry
45708
45718
  */
45709
- value: (number | string) | number;
45719
+ value: (number | string | number) | number;
45710
45720
  /**
45711
45721
  * integer id of this entry
45712
45722
  */
@@ -47008,3304 +47018,6 @@ export interface TemplateSchema {
47008
47018
  */
47009
47019
  schemaVersion?: string;
47010
47020
  }
47011
- /** Schema dist/js/schema/software_directory/ml/exabyteml.json */
47012
- export interface ExabyteMachineLearningEngineSchema {
47013
- name?: "exabyteml";
47014
- summary?: "exabyte machine learning engine";
47015
- version?: "0.2.0";
47016
- }
47017
- /** Schema dist/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json */
47018
- export interface CrossValidationUnitSchema {
47019
- /**
47020
- * TODO: consider keeping executable `evaluate` and flavor `cross-validate` as before
47021
- */
47022
- input: {
47023
- /**
47024
- * number of groups to split the training dataset for cross-validation
47025
- */
47026
- nSplits: number;
47027
- };
47028
- /**
47029
- * type of the unit
47030
- */
47031
- type: "execution";
47032
- application: {
47033
- /**
47034
- * The short name of the application. e.g. qe
47035
- */
47036
- shortName?: string;
47037
- /**
47038
- * Application's short description.
47039
- */
47040
- summary?: string;
47041
- /**
47042
- * Application version. e.g. 5.3.5
47043
- */
47044
- version?: string;
47045
- /**
47046
- * Application build. e.g. VTST
47047
- */
47048
- build?: string;
47049
- /**
47050
- * Whether advanced compute options are present
47051
- */
47052
- hasAdvancedComputeOptions?: boolean;
47053
- /**
47054
- * Whether licensing is present
47055
- */
47056
- isLicensed?: boolean;
47057
- /**
47058
- * entity identity
47059
- */
47060
- _id?: string;
47061
- /**
47062
- * entity slug
47063
- */
47064
- slug?: string;
47065
- systemName?: string;
47066
- /**
47067
- * entity's schema version. Used to distinct between different schemas.
47068
- */
47069
- schemaVersion?: string;
47070
- /**
47071
- * entity name
47072
- */
47073
- name?: string;
47074
- /**
47075
- * Identifies that entity is defaultable
47076
- */
47077
- isDefault?: boolean;
47078
- [k: string]: unknown;
47079
- };
47080
- executable?: {
47081
- /**
47082
- * The name of the executable. e.g. pw.x
47083
- */
47084
- name: string;
47085
- /**
47086
- * _ids of the application this executable belongs to
47087
- */
47088
- applicationId?: string[];
47089
- /**
47090
- * Whether advanced compute options are present
47091
- */
47092
- hasAdvancedComputeOptions?: boolean;
47093
- /**
47094
- * entity identity
47095
- */
47096
- _id?: string;
47097
- /**
47098
- * entity slug
47099
- */
47100
- slug?: string;
47101
- systemName?: string;
47102
- /**
47103
- * entity's schema version. Used to distinct between different schemas.
47104
- */
47105
- schemaVersion?: string;
47106
- /**
47107
- * Identifies that entity is defaultable
47108
- */
47109
- isDefault?: boolean;
47110
- /**
47111
- * names of the pre-processors for this calculation
47112
- */
47113
- preProcessors?: ({
47114
- /**
47115
- * The name of this item. e.g. scf_accuracy
47116
- */
47117
- name: string;
47118
- } | string)[];
47119
- /**
47120
- * names of the post-processors for this calculation
47121
- */
47122
- postProcessors?: ({
47123
- /**
47124
- * The name of this item. e.g. scf_accuracy
47125
- */
47126
- name: string;
47127
- } | string)[];
47128
- /**
47129
- * names of the monitors for this calculation
47130
- */
47131
- monitors?: ({
47132
- /**
47133
- * The name of this item. e.g. scf_accuracy
47134
- */
47135
- name: string;
47136
- } | string)[];
47137
- /**
47138
- * names of the results for this calculation
47139
- */
47140
- results?: ({
47141
- /**
47142
- * The name of this item. e.g. scf_accuracy
47143
- */
47144
- name: string;
47145
- } | string)[];
47146
- };
47147
- flavor?: {
47148
- /**
47149
- * _id of the executable this flavor belongs to
47150
- */
47151
- executableId?: string;
47152
- /**
47153
- * name of the executable this flavor belongs to
47154
- */
47155
- executableName?: string;
47156
- /**
47157
- * name of the application this flavor belongs to
47158
- */
47159
- applicationName?: string;
47160
- input?: {
47161
- templateId?: string;
47162
- templateName?: string;
47163
- /**
47164
- * name of the resulting input file, if different than template name
47165
- */
47166
- name?: string;
47167
- }[];
47168
- /**
47169
- * list of application versions this flavor supports
47170
- */
47171
- supportedApplicationVersions?: string[];
47172
- /**
47173
- * entity identity
47174
- */
47175
- _id?: string;
47176
- /**
47177
- * entity slug
47178
- */
47179
- slug?: string;
47180
- systemName?: string;
47181
- /**
47182
- * entity's schema version. Used to distinct between different schemas.
47183
- */
47184
- schemaVersion?: string;
47185
- /**
47186
- * entity name
47187
- */
47188
- name?: string;
47189
- /**
47190
- * Identifies that entity is defaultable
47191
- */
47192
- isDefault?: boolean;
47193
- /**
47194
- * names of the pre-processors for this calculation
47195
- */
47196
- preProcessors?: ({
47197
- /**
47198
- * The name of this item. e.g. scf_accuracy
47199
- */
47200
- name: string;
47201
- } | string)[];
47202
- /**
47203
- * names of the post-processors for this calculation
47204
- */
47205
- postProcessors?: ({
47206
- /**
47207
- * The name of this item. e.g. scf_accuracy
47208
- */
47209
- name: string;
47210
- } | string)[];
47211
- /**
47212
- * names of the monitors for this calculation
47213
- */
47214
- monitors?: ({
47215
- /**
47216
- * The name of this item. e.g. scf_accuracy
47217
- */
47218
- name: string;
47219
- } | string)[];
47220
- /**
47221
- * names of the results for this calculation
47222
- */
47223
- results?: ({
47224
- /**
47225
- * The name of this item. e.g. scf_accuracy
47226
- */
47227
- name: string;
47228
- } | string)[];
47229
- };
47230
- /**
47231
- * entity identity
47232
- */
47233
- _id?: string;
47234
- isDraft?: boolean;
47235
- /**
47236
- * name of the unit. e.g. pw_scf
47237
- */
47238
- name?: string;
47239
- /**
47240
- * Status of the unit.
47241
- */
47242
- status?: "idle" | "active" | "warning" | "error" | "finished";
47243
- /**
47244
- * Whether this unit is the first one to be executed.
47245
- */
47246
- head?: boolean;
47247
- /**
47248
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
47249
- */
47250
- flowchartId: string;
47251
- /**
47252
- * Next unit's flowchartId. If empty, the current unit is the last.
47253
- */
47254
- next?: string;
47255
- /**
47256
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
47257
- */
47258
- enableRender?: boolean;
47259
- context?: {};
47260
- /**
47261
- * entity slug
47262
- */
47263
- slug?: string;
47264
- systemName?: string;
47265
- /**
47266
- * entity's schema version. Used to distinct between different schemas.
47267
- */
47268
- schemaVersion?: string;
47269
- /**
47270
- * Identifies that entity is defaultable
47271
- */
47272
- isDefault?: boolean;
47273
- /**
47274
- * names of the pre-processors for this calculation
47275
- */
47276
- preProcessors?: ({
47277
- /**
47278
- * The name of this item. e.g. scf_accuracy
47279
- */
47280
- name: string;
47281
- } | string)[];
47282
- /**
47283
- * names of the post-processors for this calculation
47284
- */
47285
- postProcessors?: ({
47286
- /**
47287
- * The name of this item. e.g. scf_accuracy
47288
- */
47289
- name: string;
47290
- } | string)[];
47291
- /**
47292
- * names of the monitors for this calculation
47293
- */
47294
- monitors?: ({
47295
- /**
47296
- * The name of this item. e.g. scf_accuracy
47297
- */
47298
- name: string;
47299
- } | string)[];
47300
- /**
47301
- * names of the results for this calculation
47302
- */
47303
- results?: ({
47304
- /**
47305
- * The name of this item. e.g. scf_accuracy
47306
- */
47307
- name: string;
47308
- } | string)[];
47309
- /**
47310
- * entity tags
47311
- */
47312
- tags?: string[];
47313
- statusTrack?: {
47314
- trackedAt: number;
47315
- status: string;
47316
- repetition?: number;
47317
- }[];
47318
- [k: string]: unknown;
47319
- }
47320
- /** Schema dist/js/schema/software_directory/ml/unit/execution/initialize.json */
47321
- export interface InitializeUnitSchema {
47322
- /**
47323
- * model init unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
47324
- */
47325
- input: {
47326
- /**
47327
- * target properties to predict (NOTE: must be a subset of targets for which training was done)
47328
- */
47329
- targets: string[];
47330
- };
47331
- /**
47332
- * type of the unit
47333
- */
47334
- type: "execution";
47335
- application: {
47336
- /**
47337
- * The short name of the application. e.g. qe
47338
- */
47339
- shortName?: string;
47340
- /**
47341
- * Application's short description.
47342
- */
47343
- summary?: string;
47344
- /**
47345
- * Application version. e.g. 5.3.5
47346
- */
47347
- version?: string;
47348
- /**
47349
- * Application build. e.g. VTST
47350
- */
47351
- build?: string;
47352
- /**
47353
- * Whether advanced compute options are present
47354
- */
47355
- hasAdvancedComputeOptions?: boolean;
47356
- /**
47357
- * Whether licensing is present
47358
- */
47359
- isLicensed?: boolean;
47360
- /**
47361
- * entity identity
47362
- */
47363
- _id?: string;
47364
- /**
47365
- * entity slug
47366
- */
47367
- slug?: string;
47368
- systemName?: string;
47369
- /**
47370
- * entity's schema version. Used to distinct between different schemas.
47371
- */
47372
- schemaVersion?: string;
47373
- /**
47374
- * entity name
47375
- */
47376
- name?: string;
47377
- /**
47378
- * Identifies that entity is defaultable
47379
- */
47380
- isDefault?: boolean;
47381
- [k: string]: unknown;
47382
- };
47383
- executable?: {
47384
- /**
47385
- * The name of the executable. e.g. pw.x
47386
- */
47387
- name: string;
47388
- /**
47389
- * _ids of the application this executable belongs to
47390
- */
47391
- applicationId?: string[];
47392
- /**
47393
- * Whether advanced compute options are present
47394
- */
47395
- hasAdvancedComputeOptions?: boolean;
47396
- /**
47397
- * entity identity
47398
- */
47399
- _id?: string;
47400
- /**
47401
- * entity slug
47402
- */
47403
- slug?: string;
47404
- systemName?: string;
47405
- /**
47406
- * entity's schema version. Used to distinct between different schemas.
47407
- */
47408
- schemaVersion?: string;
47409
- /**
47410
- * Identifies that entity is defaultable
47411
- */
47412
- isDefault?: boolean;
47413
- /**
47414
- * names of the pre-processors for this calculation
47415
- */
47416
- preProcessors?: ({
47417
- /**
47418
- * The name of this item. e.g. scf_accuracy
47419
- */
47420
- name: string;
47421
- } | string)[];
47422
- /**
47423
- * names of the post-processors for this calculation
47424
- */
47425
- postProcessors?: ({
47426
- /**
47427
- * The name of this item. e.g. scf_accuracy
47428
- */
47429
- name: string;
47430
- } | string)[];
47431
- /**
47432
- * names of the monitors for this calculation
47433
- */
47434
- monitors?: ({
47435
- /**
47436
- * The name of this item. e.g. scf_accuracy
47437
- */
47438
- name: string;
47439
- } | string)[];
47440
- /**
47441
- * names of the results for this calculation
47442
- */
47443
- results?: ({
47444
- /**
47445
- * The name of this item. e.g. scf_accuracy
47446
- */
47447
- name: string;
47448
- } | string)[];
47449
- };
47450
- flavor?: {
47451
- /**
47452
- * _id of the executable this flavor belongs to
47453
- */
47454
- executableId?: string;
47455
- /**
47456
- * name of the executable this flavor belongs to
47457
- */
47458
- executableName?: string;
47459
- /**
47460
- * name of the application this flavor belongs to
47461
- */
47462
- applicationName?: string;
47463
- input?: {
47464
- templateId?: string;
47465
- templateName?: string;
47466
- /**
47467
- * name of the resulting input file, if different than template name
47468
- */
47469
- name?: string;
47470
- }[];
47471
- /**
47472
- * list of application versions this flavor supports
47473
- */
47474
- supportedApplicationVersions?: string[];
47475
- /**
47476
- * entity identity
47477
- */
47478
- _id?: string;
47479
- /**
47480
- * entity slug
47481
- */
47482
- slug?: string;
47483
- systemName?: string;
47484
- /**
47485
- * entity's schema version. Used to distinct between different schemas.
47486
- */
47487
- schemaVersion?: string;
47488
- /**
47489
- * entity name
47490
- */
47491
- name?: string;
47492
- /**
47493
- * Identifies that entity is defaultable
47494
- */
47495
- isDefault?: boolean;
47496
- /**
47497
- * names of the pre-processors for this calculation
47498
- */
47499
- preProcessors?: ({
47500
- /**
47501
- * The name of this item. e.g. scf_accuracy
47502
- */
47503
- name: string;
47504
- } | string)[];
47505
- /**
47506
- * names of the post-processors for this calculation
47507
- */
47508
- postProcessors?: ({
47509
- /**
47510
- * The name of this item. e.g. scf_accuracy
47511
- */
47512
- name: string;
47513
- } | string)[];
47514
- /**
47515
- * names of the monitors for this calculation
47516
- */
47517
- monitors?: ({
47518
- /**
47519
- * The name of this item. e.g. scf_accuracy
47520
- */
47521
- name: string;
47522
- } | string)[];
47523
- /**
47524
- * names of the results for this calculation
47525
- */
47526
- results?: ({
47527
- /**
47528
- * The name of this item. e.g. scf_accuracy
47529
- */
47530
- name: string;
47531
- } | string)[];
47532
- };
47533
- /**
47534
- * entity identity
47535
- */
47536
- _id?: string;
47537
- isDraft?: boolean;
47538
- /**
47539
- * name of the unit. e.g. pw_scf
47540
- */
47541
- name?: string;
47542
- /**
47543
- * Status of the unit.
47544
- */
47545
- status?: "idle" | "active" | "warning" | "error" | "finished";
47546
- /**
47547
- * Whether this unit is the first one to be executed.
47548
- */
47549
- head?: boolean;
47550
- /**
47551
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
47552
- */
47553
- flowchartId: string;
47554
- /**
47555
- * Next unit's flowchartId. If empty, the current unit is the last.
47556
- */
47557
- next?: string;
47558
- /**
47559
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
47560
- */
47561
- enableRender?: boolean;
47562
- context?: {};
47563
- /**
47564
- * entity slug
47565
- */
47566
- slug?: string;
47567
- systemName?: string;
47568
- /**
47569
- * entity's schema version. Used to distinct between different schemas.
47570
- */
47571
- schemaVersion?: string;
47572
- /**
47573
- * Identifies that entity is defaultable
47574
- */
47575
- isDefault?: boolean;
47576
- /**
47577
- * names of the pre-processors for this calculation
47578
- */
47579
- preProcessors?: ({
47580
- /**
47581
- * The name of this item. e.g. scf_accuracy
47582
- */
47583
- name: string;
47584
- } | string)[];
47585
- /**
47586
- * names of the post-processors for this calculation
47587
- */
47588
- postProcessors?: ({
47589
- /**
47590
- * The name of this item. e.g. scf_accuracy
47591
- */
47592
- name: string;
47593
- } | string)[];
47594
- /**
47595
- * names of the monitors for this calculation
47596
- */
47597
- monitors?: ({
47598
- /**
47599
- * The name of this item. e.g. scf_accuracy
47600
- */
47601
- name: string;
47602
- } | string)[];
47603
- /**
47604
- * names of the results for this calculation
47605
- */
47606
- results?: ({
47607
- /**
47608
- * The name of this item. e.g. scf_accuracy
47609
- */
47610
- name: string;
47611
- } | string)[];
47612
- /**
47613
- * entity tags
47614
- */
47615
- tags?: string[];
47616
- statusTrack?: {
47617
- trackedAt: number;
47618
- status: string;
47619
- repetition?: number;
47620
- }[];
47621
- [k: string]: unknown;
47622
- }
47623
- /** Schema dist/js/schema/software_directory/ml/unit/execution/score.json */
47624
- export interface TrainScoreSchema {
47625
- /**
47626
- * unit input (type to be specified by the application's execution unit)
47627
- */
47628
- input: {
47629
- [k: string]: unknown;
47630
- };
47631
- /**
47632
- * type of the unit
47633
- */
47634
- type: "execution";
47635
- application: {
47636
- /**
47637
- * The short name of the application. e.g. qe
47638
- */
47639
- shortName?: string;
47640
- /**
47641
- * Application's short description.
47642
- */
47643
- summary?: string;
47644
- /**
47645
- * Application version. e.g. 5.3.5
47646
- */
47647
- version?: string;
47648
- /**
47649
- * Application build. e.g. VTST
47650
- */
47651
- build?: string;
47652
- /**
47653
- * Whether advanced compute options are present
47654
- */
47655
- hasAdvancedComputeOptions?: boolean;
47656
- /**
47657
- * Whether licensing is present
47658
- */
47659
- isLicensed?: boolean;
47660
- /**
47661
- * entity identity
47662
- */
47663
- _id?: string;
47664
- /**
47665
- * entity slug
47666
- */
47667
- slug?: string;
47668
- systemName?: string;
47669
- /**
47670
- * entity's schema version. Used to distinct between different schemas.
47671
- */
47672
- schemaVersion?: string;
47673
- /**
47674
- * entity name
47675
- */
47676
- name?: string;
47677
- /**
47678
- * Identifies that entity is defaultable
47679
- */
47680
- isDefault?: boolean;
47681
- [k: string]: unknown;
47682
- };
47683
- executable?: {
47684
- /**
47685
- * The name of the executable. e.g. pw.x
47686
- */
47687
- name: string;
47688
- /**
47689
- * _ids of the application this executable belongs to
47690
- */
47691
- applicationId?: string[];
47692
- /**
47693
- * Whether advanced compute options are present
47694
- */
47695
- hasAdvancedComputeOptions?: boolean;
47696
- /**
47697
- * entity identity
47698
- */
47699
- _id?: string;
47700
- /**
47701
- * entity slug
47702
- */
47703
- slug?: string;
47704
- systemName?: string;
47705
- /**
47706
- * entity's schema version. Used to distinct between different schemas.
47707
- */
47708
- schemaVersion?: string;
47709
- /**
47710
- * Identifies that entity is defaultable
47711
- */
47712
- isDefault?: boolean;
47713
- /**
47714
- * names of the pre-processors for this calculation
47715
- */
47716
- preProcessors?: ({
47717
- /**
47718
- * The name of this item. e.g. scf_accuracy
47719
- */
47720
- name: string;
47721
- } | string)[];
47722
- /**
47723
- * names of the post-processors for this calculation
47724
- */
47725
- postProcessors?: ({
47726
- /**
47727
- * The name of this item. e.g. scf_accuracy
47728
- */
47729
- name: string;
47730
- } | string)[];
47731
- /**
47732
- * names of the monitors for this calculation
47733
- */
47734
- monitors?: ({
47735
- /**
47736
- * The name of this item. e.g. scf_accuracy
47737
- */
47738
- name: string;
47739
- } | string)[];
47740
- /**
47741
- * names of the results for this calculation
47742
- */
47743
- results?: ({
47744
- /**
47745
- * The name of this item. e.g. scf_accuracy
47746
- */
47747
- name: string;
47748
- } | string)[];
47749
- };
47750
- flavor?: {
47751
- /**
47752
- * _id of the executable this flavor belongs to
47753
- */
47754
- executableId?: string;
47755
- /**
47756
- * name of the executable this flavor belongs to
47757
- */
47758
- executableName?: string;
47759
- /**
47760
- * name of the application this flavor belongs to
47761
- */
47762
- applicationName?: string;
47763
- input?: {
47764
- templateId?: string;
47765
- templateName?: string;
47766
- /**
47767
- * name of the resulting input file, if different than template name
47768
- */
47769
- name?: string;
47770
- }[];
47771
- /**
47772
- * list of application versions this flavor supports
47773
- */
47774
- supportedApplicationVersions?: string[];
47775
- /**
47776
- * entity identity
47777
- */
47778
- _id?: string;
47779
- /**
47780
- * entity slug
47781
- */
47782
- slug?: string;
47783
- systemName?: string;
47784
- /**
47785
- * entity's schema version. Used to distinct between different schemas.
47786
- */
47787
- schemaVersion?: string;
47788
- /**
47789
- * entity name
47790
- */
47791
- name?: string;
47792
- /**
47793
- * Identifies that entity is defaultable
47794
- */
47795
- isDefault?: boolean;
47796
- /**
47797
- * names of the pre-processors for this calculation
47798
- */
47799
- preProcessors?: ({
47800
- /**
47801
- * The name of this item. e.g. scf_accuracy
47802
- */
47803
- name: string;
47804
- } | string)[];
47805
- /**
47806
- * names of the post-processors for this calculation
47807
- */
47808
- postProcessors?: ({
47809
- /**
47810
- * The name of this item. e.g. scf_accuracy
47811
- */
47812
- name: string;
47813
- } | string)[];
47814
- /**
47815
- * names of the monitors for this calculation
47816
- */
47817
- monitors?: ({
47818
- /**
47819
- * The name of this item. e.g. scf_accuracy
47820
- */
47821
- name: string;
47822
- } | string)[];
47823
- /**
47824
- * names of the results for this calculation
47825
- */
47826
- results?: ({
47827
- /**
47828
- * The name of this item. e.g. scf_accuracy
47829
- */
47830
- name: string;
47831
- } | string)[];
47832
- };
47833
- /**
47834
- * entity identity
47835
- */
47836
- _id?: string;
47837
- isDraft?: boolean;
47838
- /**
47839
- * name of the unit. e.g. pw_scf
47840
- */
47841
- name?: string;
47842
- /**
47843
- * Status of the unit.
47844
- */
47845
- status?: "idle" | "active" | "warning" | "error" | "finished";
47846
- /**
47847
- * Whether this unit is the first one to be executed.
47848
- */
47849
- head?: boolean;
47850
- /**
47851
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
47852
- */
47853
- flowchartId: string;
47854
- /**
47855
- * Next unit's flowchartId. If empty, the current unit is the last.
47856
- */
47857
- next?: string;
47858
- /**
47859
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
47860
- */
47861
- enableRender?: boolean;
47862
- context?: {};
47863
- /**
47864
- * entity slug
47865
- */
47866
- slug?: string;
47867
- systemName?: string;
47868
- /**
47869
- * entity's schema version. Used to distinct between different schemas.
47870
- */
47871
- schemaVersion?: string;
47872
- /**
47873
- * Identifies that entity is defaultable
47874
- */
47875
- isDefault?: boolean;
47876
- /**
47877
- * names of the pre-processors for this calculation
47878
- */
47879
- preProcessors?: ({
47880
- /**
47881
- * The name of this item. e.g. scf_accuracy
47882
- */
47883
- name: string;
47884
- } | string)[];
47885
- /**
47886
- * names of the post-processors for this calculation
47887
- */
47888
- postProcessors?: ({
47889
- /**
47890
- * The name of this item. e.g. scf_accuracy
47891
- */
47892
- name: string;
47893
- } | string)[];
47894
- /**
47895
- * names of the monitors for this calculation
47896
- */
47897
- monitors?: ({
47898
- /**
47899
- * The name of this item. e.g. scf_accuracy
47900
- */
47901
- name: string;
47902
- } | string)[];
47903
- /**
47904
- * names of the results for this calculation
47905
- */
47906
- results?: ({
47907
- /**
47908
- * The name of this item. e.g. scf_accuracy
47909
- */
47910
- name: string;
47911
- } | string)[];
47912
- /**
47913
- * entity tags
47914
- */
47915
- tags?: string[];
47916
- statusTrack?: {
47917
- trackedAt: number;
47918
- status: string;
47919
- repetition?: number;
47920
- }[];
47921
- [k: string]: unknown;
47922
- }
47923
- /** Schema dist/js/schema/software_directory/ml/unit/execution/train.json */
47924
- export interface TrainUnitSchema {
47925
- /**
47926
- * model train unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
47927
- */
47928
- input: {
47929
- /**
47930
- * material features used for model fitting
47931
- */
47932
- features: string[];
47933
- /**
47934
- * target properties to train for
47935
- */
47936
- targets: string[];
47937
- };
47938
- /**
47939
- * type of the unit
47940
- */
47941
- type: "execution";
47942
- application: {
47943
- /**
47944
- * The short name of the application. e.g. qe
47945
- */
47946
- shortName?: string;
47947
- /**
47948
- * Application's short description.
47949
- */
47950
- summary?: string;
47951
- /**
47952
- * Application version. e.g. 5.3.5
47953
- */
47954
- version?: string;
47955
- /**
47956
- * Application build. e.g. VTST
47957
- */
47958
- build?: string;
47959
- /**
47960
- * Whether advanced compute options are present
47961
- */
47962
- hasAdvancedComputeOptions?: boolean;
47963
- /**
47964
- * Whether licensing is present
47965
- */
47966
- isLicensed?: boolean;
47967
- /**
47968
- * entity identity
47969
- */
47970
- _id?: string;
47971
- /**
47972
- * entity slug
47973
- */
47974
- slug?: string;
47975
- systemName?: string;
47976
- /**
47977
- * entity's schema version. Used to distinct between different schemas.
47978
- */
47979
- schemaVersion?: string;
47980
- /**
47981
- * entity name
47982
- */
47983
- name?: string;
47984
- /**
47985
- * Identifies that entity is defaultable
47986
- */
47987
- isDefault?: boolean;
47988
- [k: string]: unknown;
47989
- };
47990
- executable?: {
47991
- /**
47992
- * The name of the executable. e.g. pw.x
47993
- */
47994
- name: string;
47995
- /**
47996
- * _ids of the application this executable belongs to
47997
- */
47998
- applicationId?: string[];
47999
- /**
48000
- * Whether advanced compute options are present
48001
- */
48002
- hasAdvancedComputeOptions?: boolean;
48003
- /**
48004
- * entity identity
48005
- */
48006
- _id?: string;
48007
- /**
48008
- * entity slug
48009
- */
48010
- slug?: string;
48011
- systemName?: string;
48012
- /**
48013
- * entity's schema version. Used to distinct between different schemas.
48014
- */
48015
- schemaVersion?: string;
48016
- /**
48017
- * Identifies that entity is defaultable
48018
- */
48019
- isDefault?: boolean;
48020
- /**
48021
- * names of the pre-processors for this calculation
48022
- */
48023
- preProcessors?: ({
48024
- /**
48025
- * The name of this item. e.g. scf_accuracy
48026
- */
48027
- name: string;
48028
- } | string)[];
48029
- /**
48030
- * names of the post-processors for this calculation
48031
- */
48032
- postProcessors?: ({
48033
- /**
48034
- * The name of this item. e.g. scf_accuracy
48035
- */
48036
- name: string;
48037
- } | string)[];
48038
- /**
48039
- * names of the monitors for this calculation
48040
- */
48041
- monitors?: ({
48042
- /**
48043
- * The name of this item. e.g. scf_accuracy
48044
- */
48045
- name: string;
48046
- } | string)[];
48047
- /**
48048
- * names of the results for this calculation
48049
- */
48050
- results?: ({
48051
- /**
48052
- * The name of this item. e.g. scf_accuracy
48053
- */
48054
- name: string;
48055
- } | string)[];
48056
- };
48057
- flavor?: {
48058
- /**
48059
- * _id of the executable this flavor belongs to
48060
- */
48061
- executableId?: string;
48062
- /**
48063
- * name of the executable this flavor belongs to
48064
- */
48065
- executableName?: string;
48066
- /**
48067
- * name of the application this flavor belongs to
48068
- */
48069
- applicationName?: string;
48070
- input?: {
48071
- templateId?: string;
48072
- templateName?: string;
48073
- /**
48074
- * name of the resulting input file, if different than template name
48075
- */
48076
- name?: string;
48077
- }[];
48078
- /**
48079
- * list of application versions this flavor supports
48080
- */
48081
- supportedApplicationVersions?: string[];
48082
- /**
48083
- * entity identity
48084
- */
48085
- _id?: string;
48086
- /**
48087
- * entity slug
48088
- */
48089
- slug?: string;
48090
- systemName?: string;
48091
- /**
48092
- * entity's schema version. Used to distinct between different schemas.
48093
- */
48094
- schemaVersion?: string;
48095
- /**
48096
- * entity name
48097
- */
48098
- name?: string;
48099
- /**
48100
- * Identifies that entity is defaultable
48101
- */
48102
- isDefault?: boolean;
48103
- /**
48104
- * names of the pre-processors for this calculation
48105
- */
48106
- preProcessors?: ({
48107
- /**
48108
- * The name of this item. e.g. scf_accuracy
48109
- */
48110
- name: string;
48111
- } | string)[];
48112
- /**
48113
- * names of the post-processors for this calculation
48114
- */
48115
- postProcessors?: ({
48116
- /**
48117
- * The name of this item. e.g. scf_accuracy
48118
- */
48119
- name: string;
48120
- } | string)[];
48121
- /**
48122
- * names of the monitors for this calculation
48123
- */
48124
- monitors?: ({
48125
- /**
48126
- * The name of this item. e.g. scf_accuracy
48127
- */
48128
- name: string;
48129
- } | string)[];
48130
- /**
48131
- * names of the results for this calculation
48132
- */
48133
- results?: ({
48134
- /**
48135
- * The name of this item. e.g. scf_accuracy
48136
- */
48137
- name: string;
48138
- } | string)[];
48139
- };
48140
- /**
48141
- * entity identity
48142
- */
48143
- _id?: string;
48144
- isDraft?: boolean;
48145
- /**
48146
- * name of the unit. e.g. pw_scf
48147
- */
48148
- name?: string;
48149
- /**
48150
- * Status of the unit.
48151
- */
48152
- status?: "idle" | "active" | "warning" | "error" | "finished";
48153
- /**
48154
- * Whether this unit is the first one to be executed.
48155
- */
48156
- head?: boolean;
48157
- /**
48158
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
48159
- */
48160
- flowchartId: string;
48161
- /**
48162
- * Next unit's flowchartId. If empty, the current unit is the last.
48163
- */
48164
- next?: string;
48165
- /**
48166
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
48167
- */
48168
- enableRender?: boolean;
48169
- context?: {};
48170
- /**
48171
- * entity slug
48172
- */
48173
- slug?: string;
48174
- systemName?: string;
48175
- /**
48176
- * entity's schema version. Used to distinct between different schemas.
48177
- */
48178
- schemaVersion?: string;
48179
- /**
48180
- * Identifies that entity is defaultable
48181
- */
48182
- isDefault?: boolean;
48183
- /**
48184
- * names of the pre-processors for this calculation
48185
- */
48186
- preProcessors?: ({
48187
- /**
48188
- * The name of this item. e.g. scf_accuracy
48189
- */
48190
- name: string;
48191
- } | string)[];
48192
- /**
48193
- * names of the post-processors for this calculation
48194
- */
48195
- postProcessors?: ({
48196
- /**
48197
- * The name of this item. e.g. scf_accuracy
48198
- */
48199
- name: string;
48200
- } | string)[];
48201
- /**
48202
- * names of the monitors for this calculation
48203
- */
48204
- monitors?: ({
48205
- /**
48206
- * The name of this item. e.g. scf_accuracy
48207
- */
48208
- name: string;
48209
- } | string)[];
48210
- /**
48211
- * names of the results for this calculation
48212
- */
48213
- results?: ({
48214
- /**
48215
- * The name of this item. e.g. scf_accuracy
48216
- */
48217
- name: string;
48218
- } | string)[];
48219
- /**
48220
- * entity tags
48221
- */
48222
- tags?: string[];
48223
- statusTrack?: {
48224
- trackedAt: number;
48225
- status: string;
48226
- repetition?: number;
48227
- }[];
48228
- [k: string]: unknown;
48229
- }
48230
- /** Schema dist/js/schema/software_directory/ml/unit/execution.json */
48231
- export type SoftwareDirectoryMlUnitExecution = {
48232
- /**
48233
- * TODO: consider keeping executable `evaluate` and flavor `cross-validate` as before
48234
- */
48235
- input: {
48236
- /**
48237
- * number of groups to split the training dataset for cross-validation
48238
- */
48239
- nSplits: number;
48240
- };
48241
- /**
48242
- * type of the unit
48243
- */
48244
- type: "execution";
48245
- application: {
48246
- /**
48247
- * The short name of the application. e.g. qe
48248
- */
48249
- shortName?: string;
48250
- /**
48251
- * Application's short description.
48252
- */
48253
- summary?: string;
48254
- /**
48255
- * Application version. e.g. 5.3.5
48256
- */
48257
- version?: string;
48258
- /**
48259
- * Application build. e.g. VTST
48260
- */
48261
- build?: string;
48262
- /**
48263
- * Whether advanced compute options are present
48264
- */
48265
- hasAdvancedComputeOptions?: boolean;
48266
- /**
48267
- * Whether licensing is present
48268
- */
48269
- isLicensed?: boolean;
48270
- /**
48271
- * entity identity
48272
- */
48273
- _id?: string;
48274
- /**
48275
- * entity slug
48276
- */
48277
- slug?: string;
48278
- systemName?: string;
48279
- /**
48280
- * entity's schema version. Used to distinct between different schemas.
48281
- */
48282
- schemaVersion?: string;
48283
- /**
48284
- * entity name
48285
- */
48286
- name?: string;
48287
- /**
48288
- * Identifies that entity is defaultable
48289
- */
48290
- isDefault?: boolean;
48291
- [k: string]: unknown;
48292
- };
48293
- executable?: {
48294
- /**
48295
- * The name of the executable. e.g. pw.x
48296
- */
48297
- name: string;
48298
- /**
48299
- * _ids of the application this executable belongs to
48300
- */
48301
- applicationId?: string[];
48302
- /**
48303
- * Whether advanced compute options are present
48304
- */
48305
- hasAdvancedComputeOptions?: boolean;
48306
- /**
48307
- * entity identity
48308
- */
48309
- _id?: string;
48310
- /**
48311
- * entity slug
48312
- */
48313
- slug?: string;
48314
- systemName?: string;
48315
- /**
48316
- * entity's schema version. Used to distinct between different schemas.
48317
- */
48318
- schemaVersion?: string;
48319
- /**
48320
- * Identifies that entity is defaultable
48321
- */
48322
- isDefault?: boolean;
48323
- /**
48324
- * names of the pre-processors for this calculation
48325
- */
48326
- preProcessors?: ({
48327
- /**
48328
- * The name of this item. e.g. scf_accuracy
48329
- */
48330
- name: string;
48331
- } | string)[];
48332
- /**
48333
- * names of the post-processors for this calculation
48334
- */
48335
- postProcessors?: ({
48336
- /**
48337
- * The name of this item. e.g. scf_accuracy
48338
- */
48339
- name: string;
48340
- } | string)[];
48341
- /**
48342
- * names of the monitors for this calculation
48343
- */
48344
- monitors?: ({
48345
- /**
48346
- * The name of this item. e.g. scf_accuracy
48347
- */
48348
- name: string;
48349
- } | string)[];
48350
- /**
48351
- * names of the results for this calculation
48352
- */
48353
- results?: ({
48354
- /**
48355
- * The name of this item. e.g. scf_accuracy
48356
- */
48357
- name: string;
48358
- } | string)[];
48359
- };
48360
- flavor?: {
48361
- /**
48362
- * _id of the executable this flavor belongs to
48363
- */
48364
- executableId?: string;
48365
- /**
48366
- * name of the executable this flavor belongs to
48367
- */
48368
- executableName?: string;
48369
- /**
48370
- * name of the application this flavor belongs to
48371
- */
48372
- applicationName?: string;
48373
- input?: {
48374
- templateId?: string;
48375
- templateName?: string;
48376
- /**
48377
- * name of the resulting input file, if different than template name
48378
- */
48379
- name?: string;
48380
- }[];
48381
- /**
48382
- * list of application versions this flavor supports
48383
- */
48384
- supportedApplicationVersions?: string[];
48385
- /**
48386
- * entity identity
48387
- */
48388
- _id?: string;
48389
- /**
48390
- * entity slug
48391
- */
48392
- slug?: string;
48393
- systemName?: string;
48394
- /**
48395
- * entity's schema version. Used to distinct between different schemas.
48396
- */
48397
- schemaVersion?: string;
48398
- /**
48399
- * entity name
48400
- */
48401
- name?: string;
48402
- /**
48403
- * Identifies that entity is defaultable
48404
- */
48405
- isDefault?: boolean;
48406
- /**
48407
- * names of the pre-processors for this calculation
48408
- */
48409
- preProcessors?: ({
48410
- /**
48411
- * The name of this item. e.g. scf_accuracy
48412
- */
48413
- name: string;
48414
- } | string)[];
48415
- /**
48416
- * names of the post-processors for this calculation
48417
- */
48418
- postProcessors?: ({
48419
- /**
48420
- * The name of this item. e.g. scf_accuracy
48421
- */
48422
- name: string;
48423
- } | string)[];
48424
- /**
48425
- * names of the monitors for this calculation
48426
- */
48427
- monitors?: ({
48428
- /**
48429
- * The name of this item. e.g. scf_accuracy
48430
- */
48431
- name: string;
48432
- } | string)[];
48433
- /**
48434
- * names of the results for this calculation
48435
- */
48436
- results?: ({
48437
- /**
48438
- * The name of this item. e.g. scf_accuracy
48439
- */
48440
- name: string;
48441
- } | string)[];
48442
- };
48443
- /**
48444
- * entity identity
48445
- */
48446
- _id?: string;
48447
- isDraft?: boolean;
48448
- /**
48449
- * name of the unit. e.g. pw_scf
48450
- */
48451
- name?: string;
48452
- /**
48453
- * Status of the unit.
48454
- */
48455
- status?: "idle" | "active" | "warning" | "error" | "finished";
48456
- /**
48457
- * Whether this unit is the first one to be executed.
48458
- */
48459
- head?: boolean;
48460
- /**
48461
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
48462
- */
48463
- flowchartId: string;
48464
- /**
48465
- * Next unit's flowchartId. If empty, the current unit is the last.
48466
- */
48467
- next?: string;
48468
- /**
48469
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
48470
- */
48471
- enableRender?: boolean;
48472
- context?: {};
48473
- /**
48474
- * entity slug
48475
- */
48476
- slug?: string;
48477
- systemName?: string;
48478
- /**
48479
- * entity's schema version. Used to distinct between different schemas.
48480
- */
48481
- schemaVersion?: string;
48482
- /**
48483
- * Identifies that entity is defaultable
48484
- */
48485
- isDefault?: boolean;
48486
- /**
48487
- * names of the pre-processors for this calculation
48488
- */
48489
- preProcessors?: ({
48490
- /**
48491
- * The name of this item. e.g. scf_accuracy
48492
- */
48493
- name: string;
48494
- } | string)[];
48495
- /**
48496
- * names of the post-processors for this calculation
48497
- */
48498
- postProcessors?: ({
48499
- /**
48500
- * The name of this item. e.g. scf_accuracy
48501
- */
48502
- name: string;
48503
- } | string)[];
48504
- /**
48505
- * names of the monitors for this calculation
48506
- */
48507
- monitors?: ({
48508
- /**
48509
- * The name of this item. e.g. scf_accuracy
48510
- */
48511
- name: string;
48512
- } | string)[];
48513
- /**
48514
- * names of the results for this calculation
48515
- */
48516
- results?: ({
48517
- /**
48518
- * The name of this item. e.g. scf_accuracy
48519
- */
48520
- name: string;
48521
- } | string)[];
48522
- /**
48523
- * entity tags
48524
- */
48525
- tags?: string[];
48526
- statusTrack?: {
48527
- trackedAt: number;
48528
- status: string;
48529
- repetition?: number;
48530
- }[];
48531
- [k: string]: unknown;
48532
- } | {
48533
- /**
48534
- * model train unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
48535
- */
48536
- input: {
48537
- /**
48538
- * material features used for model fitting
48539
- */
48540
- features: string[];
48541
- /**
48542
- * target properties to train for
48543
- */
48544
- targets: string[];
48545
- };
48546
- /**
48547
- * type of the unit
48548
- */
48549
- type: "execution";
48550
- application: {
48551
- /**
48552
- * The short name of the application. e.g. qe
48553
- */
48554
- shortName?: string;
48555
- /**
48556
- * Application's short description.
48557
- */
48558
- summary?: string;
48559
- /**
48560
- * Application version. e.g. 5.3.5
48561
- */
48562
- version?: string;
48563
- /**
48564
- * Application build. e.g. VTST
48565
- */
48566
- build?: string;
48567
- /**
48568
- * Whether advanced compute options are present
48569
- */
48570
- hasAdvancedComputeOptions?: boolean;
48571
- /**
48572
- * Whether licensing is present
48573
- */
48574
- isLicensed?: boolean;
48575
- /**
48576
- * entity identity
48577
- */
48578
- _id?: string;
48579
- /**
48580
- * entity slug
48581
- */
48582
- slug?: string;
48583
- systemName?: string;
48584
- /**
48585
- * entity's schema version. Used to distinct between different schemas.
48586
- */
48587
- schemaVersion?: string;
48588
- /**
48589
- * entity name
48590
- */
48591
- name?: string;
48592
- /**
48593
- * Identifies that entity is defaultable
48594
- */
48595
- isDefault?: boolean;
48596
- [k: string]: unknown;
48597
- };
48598
- executable?: {
48599
- /**
48600
- * The name of the executable. e.g. pw.x
48601
- */
48602
- name: string;
48603
- /**
48604
- * _ids of the application this executable belongs to
48605
- */
48606
- applicationId?: string[];
48607
- /**
48608
- * Whether advanced compute options are present
48609
- */
48610
- hasAdvancedComputeOptions?: boolean;
48611
- /**
48612
- * entity identity
48613
- */
48614
- _id?: string;
48615
- /**
48616
- * entity slug
48617
- */
48618
- slug?: string;
48619
- systemName?: string;
48620
- /**
48621
- * entity's schema version. Used to distinct between different schemas.
48622
- */
48623
- schemaVersion?: string;
48624
- /**
48625
- * Identifies that entity is defaultable
48626
- */
48627
- isDefault?: boolean;
48628
- /**
48629
- * names of the pre-processors for this calculation
48630
- */
48631
- preProcessors?: ({
48632
- /**
48633
- * The name of this item. e.g. scf_accuracy
48634
- */
48635
- name: string;
48636
- } | string)[];
48637
- /**
48638
- * names of the post-processors for this calculation
48639
- */
48640
- postProcessors?: ({
48641
- /**
48642
- * The name of this item. e.g. scf_accuracy
48643
- */
48644
- name: string;
48645
- } | string)[];
48646
- /**
48647
- * names of the monitors for this calculation
48648
- */
48649
- monitors?: ({
48650
- /**
48651
- * The name of this item. e.g. scf_accuracy
48652
- */
48653
- name: string;
48654
- } | string)[];
48655
- /**
48656
- * names of the results for this calculation
48657
- */
48658
- results?: ({
48659
- /**
48660
- * The name of this item. e.g. scf_accuracy
48661
- */
48662
- name: string;
48663
- } | string)[];
48664
- };
48665
- flavor?: {
48666
- /**
48667
- * _id of the executable this flavor belongs to
48668
- */
48669
- executableId?: string;
48670
- /**
48671
- * name of the executable this flavor belongs to
48672
- */
48673
- executableName?: string;
48674
- /**
48675
- * name of the application this flavor belongs to
48676
- */
48677
- applicationName?: string;
48678
- input?: {
48679
- templateId?: string;
48680
- templateName?: string;
48681
- /**
48682
- * name of the resulting input file, if different than template name
48683
- */
48684
- name?: string;
48685
- }[];
48686
- /**
48687
- * list of application versions this flavor supports
48688
- */
48689
- supportedApplicationVersions?: string[];
48690
- /**
48691
- * entity identity
48692
- */
48693
- _id?: string;
48694
- /**
48695
- * entity slug
48696
- */
48697
- slug?: string;
48698
- systemName?: string;
48699
- /**
48700
- * entity's schema version. Used to distinct between different schemas.
48701
- */
48702
- schemaVersion?: string;
48703
- /**
48704
- * entity name
48705
- */
48706
- name?: string;
48707
- /**
48708
- * Identifies that entity is defaultable
48709
- */
48710
- isDefault?: boolean;
48711
- /**
48712
- * names of the pre-processors for this calculation
48713
- */
48714
- preProcessors?: ({
48715
- /**
48716
- * The name of this item. e.g. scf_accuracy
48717
- */
48718
- name: string;
48719
- } | string)[];
48720
- /**
48721
- * names of the post-processors for this calculation
48722
- */
48723
- postProcessors?: ({
48724
- /**
48725
- * The name of this item. e.g. scf_accuracy
48726
- */
48727
- name: string;
48728
- } | string)[];
48729
- /**
48730
- * names of the monitors for this calculation
48731
- */
48732
- monitors?: ({
48733
- /**
48734
- * The name of this item. e.g. scf_accuracy
48735
- */
48736
- name: string;
48737
- } | string)[];
48738
- /**
48739
- * names of the results for this calculation
48740
- */
48741
- results?: ({
48742
- /**
48743
- * The name of this item. e.g. scf_accuracy
48744
- */
48745
- name: string;
48746
- } | string)[];
48747
- };
48748
- /**
48749
- * entity identity
48750
- */
48751
- _id?: string;
48752
- isDraft?: boolean;
48753
- /**
48754
- * name of the unit. e.g. pw_scf
48755
- */
48756
- name?: string;
48757
- /**
48758
- * Status of the unit.
48759
- */
48760
- status?: "idle" | "active" | "warning" | "error" | "finished";
48761
- /**
48762
- * Whether this unit is the first one to be executed.
48763
- */
48764
- head?: boolean;
48765
- /**
48766
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
48767
- */
48768
- flowchartId: string;
48769
- /**
48770
- * Next unit's flowchartId. If empty, the current unit is the last.
48771
- */
48772
- next?: string;
48773
- /**
48774
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
48775
- */
48776
- enableRender?: boolean;
48777
- context?: {};
48778
- /**
48779
- * entity slug
48780
- */
48781
- slug?: string;
48782
- systemName?: string;
48783
- /**
48784
- * entity's schema version. Used to distinct between different schemas.
48785
- */
48786
- schemaVersion?: string;
48787
- /**
48788
- * Identifies that entity is defaultable
48789
- */
48790
- isDefault?: boolean;
48791
- /**
48792
- * names of the pre-processors for this calculation
48793
- */
48794
- preProcessors?: ({
48795
- /**
48796
- * The name of this item. e.g. scf_accuracy
48797
- */
48798
- name: string;
48799
- } | string)[];
48800
- /**
48801
- * names of the post-processors for this calculation
48802
- */
48803
- postProcessors?: ({
48804
- /**
48805
- * The name of this item. e.g. scf_accuracy
48806
- */
48807
- name: string;
48808
- } | string)[];
48809
- /**
48810
- * names of the monitors for this calculation
48811
- */
48812
- monitors?: ({
48813
- /**
48814
- * The name of this item. e.g. scf_accuracy
48815
- */
48816
- name: string;
48817
- } | string)[];
48818
- /**
48819
- * names of the results for this calculation
48820
- */
48821
- results?: ({
48822
- /**
48823
- * The name of this item. e.g. scf_accuracy
48824
- */
48825
- name: string;
48826
- } | string)[];
48827
- /**
48828
- * entity tags
48829
- */
48830
- tags?: string[];
48831
- statusTrack?: {
48832
- trackedAt: number;
48833
- status: string;
48834
- repetition?: number;
48835
- }[];
48836
- [k: string]: unknown;
48837
- } | {
48838
- /**
48839
- * unit input (type to be specified by the application's execution unit)
48840
- */
48841
- input: {
48842
- [k: string]: unknown;
48843
- };
48844
- /**
48845
- * type of the unit
48846
- */
48847
- type: "execution";
48848
- application: {
48849
- /**
48850
- * The short name of the application. e.g. qe
48851
- */
48852
- shortName?: string;
48853
- /**
48854
- * Application's short description.
48855
- */
48856
- summary?: string;
48857
- /**
48858
- * Application version. e.g. 5.3.5
48859
- */
48860
- version?: string;
48861
- /**
48862
- * Application build. e.g. VTST
48863
- */
48864
- build?: string;
48865
- /**
48866
- * Whether advanced compute options are present
48867
- */
48868
- hasAdvancedComputeOptions?: boolean;
48869
- /**
48870
- * Whether licensing is present
48871
- */
48872
- isLicensed?: boolean;
48873
- /**
48874
- * entity identity
48875
- */
48876
- _id?: string;
48877
- /**
48878
- * entity slug
48879
- */
48880
- slug?: string;
48881
- systemName?: string;
48882
- /**
48883
- * entity's schema version. Used to distinct between different schemas.
48884
- */
48885
- schemaVersion?: string;
48886
- /**
48887
- * entity name
48888
- */
48889
- name?: string;
48890
- /**
48891
- * Identifies that entity is defaultable
48892
- */
48893
- isDefault?: boolean;
48894
- [k: string]: unknown;
48895
- };
48896
- executable?: {
48897
- /**
48898
- * The name of the executable. e.g. pw.x
48899
- */
48900
- name: string;
48901
- /**
48902
- * _ids of the application this executable belongs to
48903
- */
48904
- applicationId?: string[];
48905
- /**
48906
- * Whether advanced compute options are present
48907
- */
48908
- hasAdvancedComputeOptions?: boolean;
48909
- /**
48910
- * entity identity
48911
- */
48912
- _id?: string;
48913
- /**
48914
- * entity slug
48915
- */
48916
- slug?: string;
48917
- systemName?: string;
48918
- /**
48919
- * entity's schema version. Used to distinct between different schemas.
48920
- */
48921
- schemaVersion?: string;
48922
- /**
48923
- * Identifies that entity is defaultable
48924
- */
48925
- isDefault?: boolean;
48926
- /**
48927
- * names of the pre-processors for this calculation
48928
- */
48929
- preProcessors?: ({
48930
- /**
48931
- * The name of this item. e.g. scf_accuracy
48932
- */
48933
- name: string;
48934
- } | string)[];
48935
- /**
48936
- * names of the post-processors for this calculation
48937
- */
48938
- postProcessors?: ({
48939
- /**
48940
- * The name of this item. e.g. scf_accuracy
48941
- */
48942
- name: string;
48943
- } | string)[];
48944
- /**
48945
- * names of the monitors for this calculation
48946
- */
48947
- monitors?: ({
48948
- /**
48949
- * The name of this item. e.g. scf_accuracy
48950
- */
48951
- name: string;
48952
- } | string)[];
48953
- /**
48954
- * names of the results for this calculation
48955
- */
48956
- results?: ({
48957
- /**
48958
- * The name of this item. e.g. scf_accuracy
48959
- */
48960
- name: string;
48961
- } | string)[];
48962
- };
48963
- flavor?: {
48964
- /**
48965
- * _id of the executable this flavor belongs to
48966
- */
48967
- executableId?: string;
48968
- /**
48969
- * name of the executable this flavor belongs to
48970
- */
48971
- executableName?: string;
48972
- /**
48973
- * name of the application this flavor belongs to
48974
- */
48975
- applicationName?: string;
48976
- input?: {
48977
- templateId?: string;
48978
- templateName?: string;
48979
- /**
48980
- * name of the resulting input file, if different than template name
48981
- */
48982
- name?: string;
48983
- }[];
48984
- /**
48985
- * list of application versions this flavor supports
48986
- */
48987
- supportedApplicationVersions?: string[];
48988
- /**
48989
- * entity identity
48990
- */
48991
- _id?: string;
48992
- /**
48993
- * entity slug
48994
- */
48995
- slug?: string;
48996
- systemName?: string;
48997
- /**
48998
- * entity's schema version. Used to distinct between different schemas.
48999
- */
49000
- schemaVersion?: string;
49001
- /**
49002
- * entity name
49003
- */
49004
- name?: string;
49005
- /**
49006
- * Identifies that entity is defaultable
49007
- */
49008
- isDefault?: boolean;
49009
- /**
49010
- * names of the pre-processors for this calculation
49011
- */
49012
- preProcessors?: ({
49013
- /**
49014
- * The name of this item. e.g. scf_accuracy
49015
- */
49016
- name: string;
49017
- } | string)[];
49018
- /**
49019
- * names of the post-processors for this calculation
49020
- */
49021
- postProcessors?: ({
49022
- /**
49023
- * The name of this item. e.g. scf_accuracy
49024
- */
49025
- name: string;
49026
- } | string)[];
49027
- /**
49028
- * names of the monitors for this calculation
49029
- */
49030
- monitors?: ({
49031
- /**
49032
- * The name of this item. e.g. scf_accuracy
49033
- */
49034
- name: string;
49035
- } | string)[];
49036
- /**
49037
- * names of the results for this calculation
49038
- */
49039
- results?: ({
49040
- /**
49041
- * The name of this item. e.g. scf_accuracy
49042
- */
49043
- name: string;
49044
- } | string)[];
49045
- };
49046
- /**
49047
- * entity identity
49048
- */
49049
- _id?: string;
49050
- isDraft?: boolean;
49051
- /**
49052
- * name of the unit. e.g. pw_scf
49053
- */
49054
- name?: string;
49055
- /**
49056
- * Status of the unit.
49057
- */
49058
- status?: "idle" | "active" | "warning" | "error" | "finished";
49059
- /**
49060
- * Whether this unit is the first one to be executed.
49061
- */
49062
- head?: boolean;
49063
- /**
49064
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49065
- */
49066
- flowchartId: string;
49067
- /**
49068
- * Next unit's flowchartId. If empty, the current unit is the last.
49069
- */
49070
- next?: string;
49071
- /**
49072
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49073
- */
49074
- enableRender?: boolean;
49075
- context?: {};
49076
- /**
49077
- * entity slug
49078
- */
49079
- slug?: string;
49080
- systemName?: string;
49081
- /**
49082
- * entity's schema version. Used to distinct between different schemas.
49083
- */
49084
- schemaVersion?: string;
49085
- /**
49086
- * Identifies that entity is defaultable
49087
- */
49088
- isDefault?: boolean;
49089
- /**
49090
- * names of the pre-processors for this calculation
49091
- */
49092
- preProcessors?: ({
49093
- /**
49094
- * The name of this item. e.g. scf_accuracy
49095
- */
49096
- name: string;
49097
- } | string)[];
49098
- /**
49099
- * names of the post-processors for this calculation
49100
- */
49101
- postProcessors?: ({
49102
- /**
49103
- * The name of this item. e.g. scf_accuracy
49104
- */
49105
- name: string;
49106
- } | string)[];
49107
- /**
49108
- * names of the monitors for this calculation
49109
- */
49110
- monitors?: ({
49111
- /**
49112
- * The name of this item. e.g. scf_accuracy
49113
- */
49114
- name: string;
49115
- } | string)[];
49116
- /**
49117
- * names of the results for this calculation
49118
- */
49119
- results?: ({
49120
- /**
49121
- * The name of this item. e.g. scf_accuracy
49122
- */
49123
- name: string;
49124
- } | string)[];
49125
- /**
49126
- * entity tags
49127
- */
49128
- tags?: string[];
49129
- statusTrack?: {
49130
- trackedAt: number;
49131
- status: string;
49132
- repetition?: number;
49133
- }[];
49134
- [k: string]: unknown;
49135
- } | {
49136
- /**
49137
- * model init unit (NOTE: info about method, eg. regression/linear is taken from (sub)workflow)
49138
- */
49139
- input: {
49140
- /**
49141
- * target properties to predict (NOTE: must be a subset of targets for which training was done)
49142
- */
49143
- targets: string[];
49144
- };
49145
- /**
49146
- * type of the unit
49147
- */
49148
- type: "execution";
49149
- application: {
49150
- /**
49151
- * The short name of the application. e.g. qe
49152
- */
49153
- shortName?: string;
49154
- /**
49155
- * Application's short description.
49156
- */
49157
- summary?: string;
49158
- /**
49159
- * Application version. e.g. 5.3.5
49160
- */
49161
- version?: string;
49162
- /**
49163
- * Application build. e.g. VTST
49164
- */
49165
- build?: string;
49166
- /**
49167
- * Whether advanced compute options are present
49168
- */
49169
- hasAdvancedComputeOptions?: boolean;
49170
- /**
49171
- * Whether licensing is present
49172
- */
49173
- isLicensed?: boolean;
49174
- /**
49175
- * entity identity
49176
- */
49177
- _id?: string;
49178
- /**
49179
- * entity slug
49180
- */
49181
- slug?: string;
49182
- systemName?: string;
49183
- /**
49184
- * entity's schema version. Used to distinct between different schemas.
49185
- */
49186
- schemaVersion?: string;
49187
- /**
49188
- * entity name
49189
- */
49190
- name?: string;
49191
- /**
49192
- * Identifies that entity is defaultable
49193
- */
49194
- isDefault?: boolean;
49195
- [k: string]: unknown;
49196
- };
49197
- executable?: {
49198
- /**
49199
- * The name of the executable. e.g. pw.x
49200
- */
49201
- name: string;
49202
- /**
49203
- * _ids of the application this executable belongs to
49204
- */
49205
- applicationId?: string[];
49206
- /**
49207
- * Whether advanced compute options are present
49208
- */
49209
- hasAdvancedComputeOptions?: boolean;
49210
- /**
49211
- * entity identity
49212
- */
49213
- _id?: string;
49214
- /**
49215
- * entity slug
49216
- */
49217
- slug?: string;
49218
- systemName?: string;
49219
- /**
49220
- * entity's schema version. Used to distinct between different schemas.
49221
- */
49222
- schemaVersion?: string;
49223
- /**
49224
- * Identifies that entity is defaultable
49225
- */
49226
- isDefault?: boolean;
49227
- /**
49228
- * names of the pre-processors for this calculation
49229
- */
49230
- preProcessors?: ({
49231
- /**
49232
- * The name of this item. e.g. scf_accuracy
49233
- */
49234
- name: string;
49235
- } | string)[];
49236
- /**
49237
- * names of the post-processors for this calculation
49238
- */
49239
- postProcessors?: ({
49240
- /**
49241
- * The name of this item. e.g. scf_accuracy
49242
- */
49243
- name: string;
49244
- } | string)[];
49245
- /**
49246
- * names of the monitors for this calculation
49247
- */
49248
- monitors?: ({
49249
- /**
49250
- * The name of this item. e.g. scf_accuracy
49251
- */
49252
- name: string;
49253
- } | string)[];
49254
- /**
49255
- * names of the results for this calculation
49256
- */
49257
- results?: ({
49258
- /**
49259
- * The name of this item. e.g. scf_accuracy
49260
- */
49261
- name: string;
49262
- } | string)[];
49263
- };
49264
- flavor?: {
49265
- /**
49266
- * _id of the executable this flavor belongs to
49267
- */
49268
- executableId?: string;
49269
- /**
49270
- * name of the executable this flavor belongs to
49271
- */
49272
- executableName?: string;
49273
- /**
49274
- * name of the application this flavor belongs to
49275
- */
49276
- applicationName?: string;
49277
- input?: {
49278
- templateId?: string;
49279
- templateName?: string;
49280
- /**
49281
- * name of the resulting input file, if different than template name
49282
- */
49283
- name?: string;
49284
- }[];
49285
- /**
49286
- * list of application versions this flavor supports
49287
- */
49288
- supportedApplicationVersions?: string[];
49289
- /**
49290
- * entity identity
49291
- */
49292
- _id?: string;
49293
- /**
49294
- * entity slug
49295
- */
49296
- slug?: string;
49297
- systemName?: string;
49298
- /**
49299
- * entity's schema version. Used to distinct between different schemas.
49300
- */
49301
- schemaVersion?: string;
49302
- /**
49303
- * entity name
49304
- */
49305
- name?: string;
49306
- /**
49307
- * Identifies that entity is defaultable
49308
- */
49309
- isDefault?: boolean;
49310
- /**
49311
- * names of the pre-processors for this calculation
49312
- */
49313
- preProcessors?: ({
49314
- /**
49315
- * The name of this item. e.g. scf_accuracy
49316
- */
49317
- name: string;
49318
- } | string)[];
49319
- /**
49320
- * names of the post-processors for this calculation
49321
- */
49322
- postProcessors?: ({
49323
- /**
49324
- * The name of this item. e.g. scf_accuracy
49325
- */
49326
- name: string;
49327
- } | string)[];
49328
- /**
49329
- * names of the monitors for this calculation
49330
- */
49331
- monitors?: ({
49332
- /**
49333
- * The name of this item. e.g. scf_accuracy
49334
- */
49335
- name: string;
49336
- } | string)[];
49337
- /**
49338
- * names of the results for this calculation
49339
- */
49340
- results?: ({
49341
- /**
49342
- * The name of this item. e.g. scf_accuracy
49343
- */
49344
- name: string;
49345
- } | string)[];
49346
- };
49347
- /**
49348
- * entity identity
49349
- */
49350
- _id?: string;
49351
- isDraft?: boolean;
49352
- /**
49353
- * name of the unit. e.g. pw_scf
49354
- */
49355
- name?: string;
49356
- /**
49357
- * Status of the unit.
49358
- */
49359
- status?: "idle" | "active" | "warning" | "error" | "finished";
49360
- /**
49361
- * Whether this unit is the first one to be executed.
49362
- */
49363
- head?: boolean;
49364
- /**
49365
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49366
- */
49367
- flowchartId: string;
49368
- /**
49369
- * Next unit's flowchartId. If empty, the current unit is the last.
49370
- */
49371
- next?: string;
49372
- /**
49373
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49374
- */
49375
- enableRender?: boolean;
49376
- context?: {};
49377
- /**
49378
- * entity slug
49379
- */
49380
- slug?: string;
49381
- systemName?: string;
49382
- /**
49383
- * entity's schema version. Used to distinct between different schemas.
49384
- */
49385
- schemaVersion?: string;
49386
- /**
49387
- * Identifies that entity is defaultable
49388
- */
49389
- isDefault?: boolean;
49390
- /**
49391
- * names of the pre-processors for this calculation
49392
- */
49393
- preProcessors?: ({
49394
- /**
49395
- * The name of this item. e.g. scf_accuracy
49396
- */
49397
- name: string;
49398
- } | string)[];
49399
- /**
49400
- * names of the post-processors for this calculation
49401
- */
49402
- postProcessors?: ({
49403
- /**
49404
- * The name of this item. e.g. scf_accuracy
49405
- */
49406
- name: string;
49407
- } | string)[];
49408
- /**
49409
- * names of the monitors for this calculation
49410
- */
49411
- monitors?: ({
49412
- /**
49413
- * The name of this item. e.g. scf_accuracy
49414
- */
49415
- name: string;
49416
- } | string)[];
49417
- /**
49418
- * names of the results for this calculation
49419
- */
49420
- results?: ({
49421
- /**
49422
- * The name of this item. e.g. scf_accuracy
49423
- */
49424
- name: string;
49425
- } | string)[];
49426
- /**
49427
- * entity tags
49428
- */
49429
- tags?: string[];
49430
- statusTrack?: {
49431
- trackedAt: number;
49432
- status: string;
49433
- repetition?: number;
49434
- }[];
49435
- [k: string]: unknown;
49436
- };
49437
- /** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json */
49438
- export interface ManipulationUnitSchema {
49439
- /**
49440
- * Contains information about the operation used.
49441
- */
49442
- operation: "data_transformation";
49443
- /**
49444
- * Contains information about the specific type of the operation used.
49445
- */
49446
- operationType: "manipulation";
49447
- /**
49448
- * unit input (type to be specified by the child units)
49449
- */
49450
- inputData: {
49451
- /**
49452
- * whether to clean missing data, eg. NaN
49453
- */
49454
- cleanMissingData: boolean;
49455
- /**
49456
- * whether to remove duplicate rows
49457
- */
49458
- removeDuplicateRows: boolean;
49459
- /**
49460
- * replace None values with a given value
49461
- */
49462
- replaceNoneValuesWith: number;
49463
- };
49464
- /**
49465
- * type of the unit
49466
- */
49467
- type: "processing";
49468
- /**
49469
- * entity identity
49470
- */
49471
- _id?: string;
49472
- isDraft?: boolean;
49473
- /**
49474
- * name of the unit. e.g. pw_scf
49475
- */
49476
- name?: string;
49477
- /**
49478
- * Status of the unit.
49479
- */
49480
- status?: "idle" | "active" | "warning" | "error" | "finished";
49481
- /**
49482
- * Whether this unit is the first one to be executed.
49483
- */
49484
- head?: boolean;
49485
- /**
49486
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49487
- */
49488
- flowchartId: string;
49489
- /**
49490
- * Next unit's flowchartId. If empty, the current unit is the last.
49491
- */
49492
- next?: string;
49493
- /**
49494
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49495
- */
49496
- enableRender?: boolean;
49497
- context?: {};
49498
- /**
49499
- * entity slug
49500
- */
49501
- slug?: string;
49502
- systemName?: string;
49503
- /**
49504
- * entity's schema version. Used to distinct between different schemas.
49505
- */
49506
- schemaVersion?: string;
49507
- /**
49508
- * Identifies that entity is defaultable
49509
- */
49510
- isDefault?: boolean;
49511
- /**
49512
- * names of the pre-processors for this calculation
49513
- */
49514
- preProcessors?: ({
49515
- /**
49516
- * The name of this item. e.g. scf_accuracy
49517
- */
49518
- name: string;
49519
- } | string)[];
49520
- /**
49521
- * names of the post-processors for this calculation
49522
- */
49523
- postProcessors?: ({
49524
- /**
49525
- * The name of this item. e.g. scf_accuracy
49526
- */
49527
- name: string;
49528
- } | string)[];
49529
- /**
49530
- * names of the monitors for this calculation
49531
- */
49532
- monitors?: ({
49533
- /**
49534
- * The name of this item. e.g. scf_accuracy
49535
- */
49536
- name: string;
49537
- } | string)[];
49538
- /**
49539
- * names of the results for this calculation
49540
- */
49541
- results?: ({
49542
- /**
49543
- * The name of this item. e.g. scf_accuracy
49544
- */
49545
- name: string;
49546
- } | string)[];
49547
- /**
49548
- * entity tags
49549
- */
49550
- tags?: string[];
49551
- statusTrack?: {
49552
- trackedAt: number;
49553
- status: string;
49554
- repetition?: number;
49555
- }[];
49556
- [k: string]: unknown;
49557
- }
49558
- /** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json */
49559
- export interface ScaleAndReduceUnitSchema {
49560
- /**
49561
- * Contains information about the operation used.
49562
- */
49563
- operation: "data_transformation";
49564
- /**
49565
- * Contains information about the specific type of the operation used.
49566
- */
49567
- operationType: "scale_and_reduce";
49568
- /**
49569
- * unit input (type to be specified by the child units)
49570
- */
49571
- inputData: {
49572
- /**
49573
- * type of scaler to be applied
49574
- */
49575
- scaler: "standard_scaler";
49576
- /**
49577
- * per-feature scaling data
49578
- */
49579
- perFeature?: {
49580
- /**
49581
- * variance in original training data
49582
- */
49583
- variance?: number;
49584
- /**
49585
- * mean value of the original training data
49586
- */
49587
- mean?: number;
49588
- /**
49589
- * scale multiplier for this feature/property
49590
- */
49591
- scale: number;
49592
- /**
49593
- * feature/property name in 'flattened' format
49594
- */
49595
- name: string;
49596
- }[];
49597
- };
49598
- /**
49599
- * type of the unit
49600
- */
49601
- type: "processing";
49602
- /**
49603
- * entity identity
49604
- */
49605
- _id?: string;
49606
- isDraft?: boolean;
49607
- /**
49608
- * name of the unit. e.g. pw_scf
49609
- */
49610
- name?: string;
49611
- /**
49612
- * Status of the unit.
49613
- */
49614
- status?: "idle" | "active" | "warning" | "error" | "finished";
49615
- /**
49616
- * Whether this unit is the first one to be executed.
49617
- */
49618
- head?: boolean;
49619
- /**
49620
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49621
- */
49622
- flowchartId: string;
49623
- /**
49624
- * Next unit's flowchartId. If empty, the current unit is the last.
49625
- */
49626
- next?: string;
49627
- /**
49628
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49629
- */
49630
- enableRender?: boolean;
49631
- context?: {};
49632
- /**
49633
- * entity slug
49634
- */
49635
- slug?: string;
49636
- systemName?: string;
49637
- /**
49638
- * entity's schema version. Used to distinct between different schemas.
49639
- */
49640
- schemaVersion?: string;
49641
- /**
49642
- * Identifies that entity is defaultable
49643
- */
49644
- isDefault?: boolean;
49645
- /**
49646
- * names of the pre-processors for this calculation
49647
- */
49648
- preProcessors?: ({
49649
- /**
49650
- * The name of this item. e.g. scf_accuracy
49651
- */
49652
- name: string;
49653
- } | string)[];
49654
- /**
49655
- * names of the post-processors for this calculation
49656
- */
49657
- postProcessors?: ({
49658
- /**
49659
- * The name of this item. e.g. scf_accuracy
49660
- */
49661
- name: string;
49662
- } | string)[];
49663
- /**
49664
- * names of the monitors for this calculation
49665
- */
49666
- monitors?: ({
49667
- /**
49668
- * The name of this item. e.g. scf_accuracy
49669
- */
49670
- name: string;
49671
- } | string)[];
49672
- /**
49673
- * names of the results for this calculation
49674
- */
49675
- results?: ({
49676
- /**
49677
- * The name of this item. e.g. scf_accuracy
49678
- */
49679
- name: string;
49680
- } | string)[];
49681
- /**
49682
- * entity tags
49683
- */
49684
- tags?: string[];
49685
- statusTrack?: {
49686
- trackedAt: number;
49687
- status: string;
49688
- repetition?: number;
49689
- }[];
49690
- [k: string]: unknown;
49691
- }
49692
- /** Schema dist/js/schema/software_directory/ml/unit/processing/data_transformation.json */
49693
- export type SoftwareDirectoryMlUnitProcessingDataTransformation = {
49694
- /**
49695
- * Contains information about the operation used.
49696
- */
49697
- operation: "data_transformation";
49698
- /**
49699
- * Contains information about the specific type of the operation used.
49700
- */
49701
- operationType: "scale_and_reduce";
49702
- /**
49703
- * unit input (type to be specified by the child units)
49704
- */
49705
- inputData: {
49706
- /**
49707
- * type of scaler to be applied
49708
- */
49709
- scaler: "standard_scaler";
49710
- /**
49711
- * per-feature scaling data
49712
- */
49713
- perFeature?: {
49714
- /**
49715
- * variance in original training data
49716
- */
49717
- variance?: number;
49718
- /**
49719
- * mean value of the original training data
49720
- */
49721
- mean?: number;
49722
- /**
49723
- * scale multiplier for this feature/property
49724
- */
49725
- scale: number;
49726
- /**
49727
- * feature/property name in 'flattened' format
49728
- */
49729
- name: string;
49730
- }[];
49731
- };
49732
- /**
49733
- * type of the unit
49734
- */
49735
- type: "processing";
49736
- /**
49737
- * entity identity
49738
- */
49739
- _id?: string;
49740
- isDraft?: boolean;
49741
- /**
49742
- * name of the unit. e.g. pw_scf
49743
- */
49744
- name?: string;
49745
- /**
49746
- * Status of the unit.
49747
- */
49748
- status?: "idle" | "active" | "warning" | "error" | "finished";
49749
- /**
49750
- * Whether this unit is the first one to be executed.
49751
- */
49752
- head?: boolean;
49753
- /**
49754
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49755
- */
49756
- flowchartId: string;
49757
- /**
49758
- * Next unit's flowchartId. If empty, the current unit is the last.
49759
- */
49760
- next?: string;
49761
- /**
49762
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49763
- */
49764
- enableRender?: boolean;
49765
- context?: {};
49766
- /**
49767
- * entity slug
49768
- */
49769
- slug?: string;
49770
- systemName?: string;
49771
- /**
49772
- * entity's schema version. Used to distinct between different schemas.
49773
- */
49774
- schemaVersion?: string;
49775
- /**
49776
- * Identifies that entity is defaultable
49777
- */
49778
- isDefault?: boolean;
49779
- /**
49780
- * names of the pre-processors for this calculation
49781
- */
49782
- preProcessors?: ({
49783
- /**
49784
- * The name of this item. e.g. scf_accuracy
49785
- */
49786
- name: string;
49787
- } | string)[];
49788
- /**
49789
- * names of the post-processors for this calculation
49790
- */
49791
- postProcessors?: ({
49792
- /**
49793
- * The name of this item. e.g. scf_accuracy
49794
- */
49795
- name: string;
49796
- } | string)[];
49797
- /**
49798
- * names of the monitors for this calculation
49799
- */
49800
- monitors?: ({
49801
- /**
49802
- * The name of this item. e.g. scf_accuracy
49803
- */
49804
- name: string;
49805
- } | string)[];
49806
- /**
49807
- * names of the results for this calculation
49808
- */
49809
- results?: ({
49810
- /**
49811
- * The name of this item. e.g. scf_accuracy
49812
- */
49813
- name: string;
49814
- } | string)[];
49815
- /**
49816
- * entity tags
49817
- */
49818
- tags?: string[];
49819
- statusTrack?: {
49820
- trackedAt: number;
49821
- status: string;
49822
- repetition?: number;
49823
- }[];
49824
- [k: string]: unknown;
49825
- };
49826
- /** Schema dist/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json */
49827
- export interface FilterBasedFeatureSelectionUnitSchema {
49828
- /**
49829
- * Contains information about the operation used.
49830
- */
49831
- operation: "feature_selection";
49832
- /**
49833
- * Contains information about the specific type of the operation used.
49834
- */
49835
- operationType: "filter_based";
49836
- /**
49837
- * unit input (type to be specified by the child units)
49838
- */
49839
- inputData: {
49840
- /**
49841
- * number of features to select for model training. If equal to 0, will use all available features
49842
- */
49843
- nFeatures: number;
49844
- /**
49845
- * feature selection algorithm following sklearn.feature_selection
49846
- */
49847
- algorithm: "f_regression";
49848
- };
49849
- /**
49850
- * type of the unit
49851
- */
49852
- type: "processing";
49853
- /**
49854
- * entity identity
49855
- */
49856
- _id?: string;
49857
- isDraft?: boolean;
49858
- /**
49859
- * name of the unit. e.g. pw_scf
49860
- */
49861
- name?: string;
49862
- /**
49863
- * Status of the unit.
49864
- */
49865
- status?: "idle" | "active" | "warning" | "error" | "finished";
49866
- /**
49867
- * Whether this unit is the first one to be executed.
49868
- */
49869
- head?: boolean;
49870
- /**
49871
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49872
- */
49873
- flowchartId: string;
49874
- /**
49875
- * Next unit's flowchartId. If empty, the current unit is the last.
49876
- */
49877
- next?: string;
49878
- /**
49879
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49880
- */
49881
- enableRender?: boolean;
49882
- context?: {};
49883
- /**
49884
- * entity slug
49885
- */
49886
- slug?: string;
49887
- systemName?: string;
49888
- /**
49889
- * entity's schema version. Used to distinct between different schemas.
49890
- */
49891
- schemaVersion?: string;
49892
- /**
49893
- * Identifies that entity is defaultable
49894
- */
49895
- isDefault?: boolean;
49896
- /**
49897
- * names of the pre-processors for this calculation
49898
- */
49899
- preProcessors?: ({
49900
- /**
49901
- * The name of this item. e.g. scf_accuracy
49902
- */
49903
- name: string;
49904
- } | string)[];
49905
- /**
49906
- * names of the post-processors for this calculation
49907
- */
49908
- postProcessors?: ({
49909
- /**
49910
- * The name of this item. e.g. scf_accuracy
49911
- */
49912
- name: string;
49913
- } | string)[];
49914
- /**
49915
- * names of the monitors for this calculation
49916
- */
49917
- monitors?: ({
49918
- /**
49919
- * The name of this item. e.g. scf_accuracy
49920
- */
49921
- name: string;
49922
- } | string)[];
49923
- /**
49924
- * names of the results for this calculation
49925
- */
49926
- results?: ({
49927
- /**
49928
- * The name of this item. e.g. scf_accuracy
49929
- */
49930
- name: string;
49931
- } | string)[];
49932
- /**
49933
- * entity tags
49934
- */
49935
- tags?: string[];
49936
- statusTrack?: {
49937
- trackedAt: number;
49938
- status: string;
49939
- repetition?: number;
49940
- }[];
49941
- [k: string]: unknown;
49942
- }
49943
- /** Schema dist/js/schema/software_directory/ml/unit/processing/feature_selection.json */
49944
- export type SoftwareDirectoryMlUnitProcessingFeatureSelection = {
49945
- /**
49946
- * Contains information about the operation used.
49947
- */
49948
- operation: "feature_selection";
49949
- /**
49950
- * Contains information about the specific type of the operation used.
49951
- */
49952
- operationType: "filter_based";
49953
- /**
49954
- * unit input (type to be specified by the child units)
49955
- */
49956
- inputData: {
49957
- /**
49958
- * number of features to select for model training. If equal to 0, will use all available features
49959
- */
49960
- nFeatures: number;
49961
- /**
49962
- * feature selection algorithm following sklearn.feature_selection
49963
- */
49964
- algorithm: "f_regression";
49965
- };
49966
- /**
49967
- * type of the unit
49968
- */
49969
- type: "processing";
49970
- /**
49971
- * entity identity
49972
- */
49973
- _id?: string;
49974
- isDraft?: boolean;
49975
- /**
49976
- * name of the unit. e.g. pw_scf
49977
- */
49978
- name?: string;
49979
- /**
49980
- * Status of the unit.
49981
- */
49982
- status?: "idle" | "active" | "warning" | "error" | "finished";
49983
- /**
49984
- * Whether this unit is the first one to be executed.
49985
- */
49986
- head?: boolean;
49987
- /**
49988
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
49989
- */
49990
- flowchartId: string;
49991
- /**
49992
- * Next unit's flowchartId. If empty, the current unit is the last.
49993
- */
49994
- next?: string;
49995
- /**
49996
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
49997
- */
49998
- enableRender?: boolean;
49999
- context?: {};
50000
- /**
50001
- * entity slug
50002
- */
50003
- slug?: string;
50004
- systemName?: string;
50005
- /**
50006
- * entity's schema version. Used to distinct between different schemas.
50007
- */
50008
- schemaVersion?: string;
50009
- /**
50010
- * Identifies that entity is defaultable
50011
- */
50012
- isDefault?: boolean;
50013
- /**
50014
- * names of the pre-processors for this calculation
50015
- */
50016
- preProcessors?: ({
50017
- /**
50018
- * The name of this item. e.g. scf_accuracy
50019
- */
50020
- name: string;
50021
- } | string)[];
50022
- /**
50023
- * names of the post-processors for this calculation
50024
- */
50025
- postProcessors?: ({
50026
- /**
50027
- * The name of this item. e.g. scf_accuracy
50028
- */
50029
- name: string;
50030
- } | string)[];
50031
- /**
50032
- * names of the monitors for this calculation
50033
- */
50034
- monitors?: ({
50035
- /**
50036
- * The name of this item. e.g. scf_accuracy
50037
- */
50038
- name: string;
50039
- } | string)[];
50040
- /**
50041
- * names of the results for this calculation
50042
- */
50043
- results?: ({
50044
- /**
50045
- * The name of this item. e.g. scf_accuracy
50046
- */
50047
- name: string;
50048
- } | string)[];
50049
- /**
50050
- * entity tags
50051
- */
50052
- tags?: string[];
50053
- statusTrack?: {
50054
- trackedAt: number;
50055
- status: string;
50056
- repetition?: number;
50057
- }[];
50058
- [k: string]: unknown;
50059
- };
50060
- /** Schema dist/js/schema/software_directory/ml/unit/processing.json */
50061
- export type SoftwareDirectoryMlUnitProcessing = {
50062
- /**
50063
- * Contains information about the operation used.
50064
- */
50065
- operation: "data_transformation";
50066
- /**
50067
- * Contains information about the specific type of the operation used.
50068
- */
50069
- operationType: "scale_and_reduce";
50070
- /**
50071
- * unit input (type to be specified by the child units)
50072
- */
50073
- inputData: {
50074
- /**
50075
- * type of scaler to be applied
50076
- */
50077
- scaler: "standard_scaler";
50078
- /**
50079
- * per-feature scaling data
50080
- */
50081
- perFeature?: {
50082
- /**
50083
- * variance in original training data
50084
- */
50085
- variance?: number;
50086
- /**
50087
- * mean value of the original training data
50088
- */
50089
- mean?: number;
50090
- /**
50091
- * scale multiplier for this feature/property
50092
- */
50093
- scale: number;
50094
- /**
50095
- * feature/property name in 'flattened' format
50096
- */
50097
- name: string;
50098
- }[];
50099
- };
50100
- /**
50101
- * type of the unit
50102
- */
50103
- type: "processing";
50104
- /**
50105
- * entity identity
50106
- */
50107
- _id?: string;
50108
- isDraft?: boolean;
50109
- /**
50110
- * name of the unit. e.g. pw_scf
50111
- */
50112
- name?: string;
50113
- /**
50114
- * Status of the unit.
50115
- */
50116
- status?: "idle" | "active" | "warning" | "error" | "finished";
50117
- /**
50118
- * Whether this unit is the first one to be executed.
50119
- */
50120
- head?: boolean;
50121
- /**
50122
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
50123
- */
50124
- flowchartId: string;
50125
- /**
50126
- * Next unit's flowchartId. If empty, the current unit is the last.
50127
- */
50128
- next?: string;
50129
- /**
50130
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
50131
- */
50132
- enableRender?: boolean;
50133
- context?: {};
50134
- /**
50135
- * entity slug
50136
- */
50137
- slug?: string;
50138
- systemName?: string;
50139
- /**
50140
- * entity's schema version. Used to distinct between different schemas.
50141
- */
50142
- schemaVersion?: string;
50143
- /**
50144
- * Identifies that entity is defaultable
50145
- */
50146
- isDefault?: boolean;
50147
- /**
50148
- * names of the pre-processors for this calculation
50149
- */
50150
- preProcessors?: ({
50151
- /**
50152
- * The name of this item. e.g. scf_accuracy
50153
- */
50154
- name: string;
50155
- } | string)[];
50156
- /**
50157
- * names of the post-processors for this calculation
50158
- */
50159
- postProcessors?: ({
50160
- /**
50161
- * The name of this item. e.g. scf_accuracy
50162
- */
50163
- name: string;
50164
- } | string)[];
50165
- /**
50166
- * names of the monitors for this calculation
50167
- */
50168
- monitors?: ({
50169
- /**
50170
- * The name of this item. e.g. scf_accuracy
50171
- */
50172
- name: string;
50173
- } | string)[];
50174
- /**
50175
- * names of the results for this calculation
50176
- */
50177
- results?: ({
50178
- /**
50179
- * The name of this item. e.g. scf_accuracy
50180
- */
50181
- name: string;
50182
- } | string)[];
50183
- /**
50184
- * entity tags
50185
- */
50186
- tags?: string[];
50187
- statusTrack?: {
50188
- trackedAt: number;
50189
- status: string;
50190
- repetition?: number;
50191
- }[];
50192
- [k: string]: unknown;
50193
- } | {
50194
- /**
50195
- * Contains information about the operation used.
50196
- */
50197
- operation: "feature_selection";
50198
- /**
50199
- * Contains information about the specific type of the operation used.
50200
- */
50201
- operationType: "filter_based";
50202
- /**
50203
- * unit input (type to be specified by the child units)
50204
- */
50205
- inputData: {
50206
- /**
50207
- * number of features to select for model training. If equal to 0, will use all available features
50208
- */
50209
- nFeatures: number;
50210
- /**
50211
- * feature selection algorithm following sklearn.feature_selection
50212
- */
50213
- algorithm: "f_regression";
50214
- };
50215
- /**
50216
- * type of the unit
50217
- */
50218
- type: "processing";
50219
- /**
50220
- * entity identity
50221
- */
50222
- _id?: string;
50223
- isDraft?: boolean;
50224
- /**
50225
- * name of the unit. e.g. pw_scf
50226
- */
50227
- name?: string;
50228
- /**
50229
- * Status of the unit.
50230
- */
50231
- status?: "idle" | "active" | "warning" | "error" | "finished";
50232
- /**
50233
- * Whether this unit is the first one to be executed.
50234
- */
50235
- head?: boolean;
50236
- /**
50237
- * Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
50238
- */
50239
- flowchartId: string;
50240
- /**
50241
- * Next unit's flowchartId. If empty, the current unit is the last.
50242
- */
50243
- next?: string;
50244
- /**
50245
- * Whether Rupy should attempt to use Jinja templating to add context variables into the unit
50246
- */
50247
- enableRender?: boolean;
50248
- context?: {};
50249
- /**
50250
- * entity slug
50251
- */
50252
- slug?: string;
50253
- systemName?: string;
50254
- /**
50255
- * entity's schema version. Used to distinct between different schemas.
50256
- */
50257
- schemaVersion?: string;
50258
- /**
50259
- * Identifies that entity is defaultable
50260
- */
50261
- isDefault?: boolean;
50262
- /**
50263
- * names of the pre-processors for this calculation
50264
- */
50265
- preProcessors?: ({
50266
- /**
50267
- * The name of this item. e.g. scf_accuracy
50268
- */
50269
- name: string;
50270
- } | string)[];
50271
- /**
50272
- * names of the post-processors for this calculation
50273
- */
50274
- postProcessors?: ({
50275
- /**
50276
- * The name of this item. e.g. scf_accuracy
50277
- */
50278
- name: string;
50279
- } | string)[];
50280
- /**
50281
- * names of the monitors for this calculation
50282
- */
50283
- monitors?: ({
50284
- /**
50285
- * The name of this item. e.g. scf_accuracy
50286
- */
50287
- name: string;
50288
- } | string)[];
50289
- /**
50290
- * names of the results for this calculation
50291
- */
50292
- results?: ({
50293
- /**
50294
- * The name of this item. e.g. scf_accuracy
50295
- */
50296
- name: string;
50297
- } | string)[];
50298
- /**
50299
- * entity tags
50300
- */
50301
- tags?: string[];
50302
- statusTrack?: {
50303
- trackedAt: number;
50304
- status: string;
50305
- repetition?: number;
50306
- }[];
50307
- [k: string]: unknown;
50308
- };
50309
47021
  /** Schema dist/js/schema/software_directory/modeling/deepmd.json */
50310
47022
  export interface DeePMDAppSchema {
50311
47023
  /**