workbench 0.8.172__py3-none-any.whl → 0.8.174__py3-none-any.whl

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.

Potentially problematic release.


This version of workbench might be problematic. Click here for more details.

Files changed (36) hide show
  1. workbench/algorithms/graph/light/proximity_graph.py +2 -1
  2. workbench/api/compound.py +1 -1
  3. workbench/api/monitor.py +1 -16
  4. workbench/core/artifacts/data_capture_core.py +348 -0
  5. workbench/core/artifacts/endpoint_core.py +9 -3
  6. workbench/core/artifacts/monitor_core.py +33 -249
  7. workbench/core/transforms/data_to_features/light/molecular_descriptors.py +4 -4
  8. workbench/model_scripts/custom_models/chem_info/mol_descriptors.py +471 -0
  9. workbench/model_scripts/custom_models/chem_info/mol_standardize.py +428 -0
  10. workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py +7 -9
  11. workbench/model_scripts/custom_models/uq_models/generated_model_script.py +95 -204
  12. workbench/model_scripts/xgb_model/generated_model_script.py +5 -5
  13. workbench/repl/workbench_shell.py +3 -3
  14. workbench/utils/chem_utils/__init__.py +0 -0
  15. workbench/utils/chem_utils/fingerprints.py +134 -0
  16. workbench/utils/chem_utils/misc.py +194 -0
  17. workbench/utils/chem_utils/mol_descriptors.py +471 -0
  18. workbench/utils/chem_utils/mol_standardize.py +428 -0
  19. workbench/utils/chem_utils/mol_tagging.py +348 -0
  20. workbench/utils/chem_utils/projections.py +209 -0
  21. workbench/utils/chem_utils/salts.py +256 -0
  22. workbench/utils/chem_utils/sdf.py +292 -0
  23. workbench/utils/chem_utils/toxicity.py +250 -0
  24. workbench/utils/chem_utils/vis.py +253 -0
  25. workbench/utils/monitor_utils.py +44 -62
  26. workbench/utils/pandas_utils.py +3 -3
  27. workbench/web_interface/components/plugins/generated_compounds.py +1 -1
  28. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/METADATA +1 -1
  29. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/RECORD +33 -22
  30. workbench/model_scripts/custom_models/chem_info/local_utils.py +0 -769
  31. workbench/model_scripts/custom_models/chem_info/tautomerize.py +0 -83
  32. workbench/utils/chem_utils.py +0 -1556
  33. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/WHEEL +0 -0
  34. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/entry_points.txt +0 -0
  35. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/licenses/LICENSE +0 -0
  36. {workbench-0.8.172.dist-info → workbench-0.8.174.dist-info}/top_level.txt +0 -0
@@ -5,7 +5,7 @@ import dash_bootstrap_components as dbc
5
5
 
6
6
  # Workbench Imports
7
7
  from workbench.api.compound import Compound
8
- from workbench.utils.chem_utils import svg_from_smiles
8
+ from workbench.utils.chem_utils.vis import svg_from_smiles
9
9
  from workbench.web_interface.components.plugin_interface import PluginInterface, PluginPage, PluginInputType
10
10
  from workbench.utils.theme_manager import ThemeManager
11
11
  from workbench.utils.ai_summary import AISummary
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: workbench
3
- Version: 0.8.172
3
+ Version: 0.8.174
4
4
  Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
5
5
  Author-email: SuperCowPowers LLC <support@supercowpowers.com>
6
6
  License-Expression: MIT
@@ -17,7 +17,7 @@ workbench/algorithms/graph/__init__.py,sha256=Hi2vBi-qw2OPLZnCu5qVTDdorRMOd3wNIt
17
17
  workbench/algorithms/graph/heavy/Readme.md,sha256=QzefnMevGXHBtaP3umzMNn2KEdNQMvJkJNbhkrUw7QE,96
18
18
  workbench/algorithms/graph/light/Readme.md,sha256=8kP_hRrRC6JtKtl5qyTwrV6gdO5rz6uq54c8WW1fTLg,122
19
19
  workbench/algorithms/graph/light/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
20
- workbench/algorithms/graph/light/proximity_graph.py,sha256=2mb1BLMdKX1NZbhNX3OGcpYED2RHJlTh4l7nd_0jAXE,9584
20
+ workbench/algorithms/graph/light/proximity_graph.py,sha256=cwPqyswX4l4my8yGyC3LDZ0Jc5ZkVFx3N6W8xFxfzEY,9651
21
21
  workbench/algorithms/spark/Readme.md,sha256=18bPoFISlT3Ls5t1cBGb5N5Z6lOWyJupQkQxab1wcO4,615
22
22
  workbench/algorithms/sql/Readme.md,sha256=fzm4jQ-unJWT-fp5JhIjpApYSAqHUGSiuHE0eNfbF4A,685
23
23
  workbench/algorithms/sql/__init__.py,sha256=TbOZQwCfx6Tjc3pCCLCiM31wpCX26j5MBNQ6yG11EwY,462
@@ -28,7 +28,7 @@ workbench/algorithms/sql/outliers.py,sha256=2hoilOk0gaz9pwrnGEBY2y7M-UqFED3KO_mF
28
28
  workbench/algorithms/sql/sample_rows.py,sha256=SRYoGb24QP_iPvOoW9bGZ95yZuseYDtyoNhilfoLu34,2688
29
29
  workbench/algorithms/sql/value_counts.py,sha256=F-rZoLTTKv1cHYl2_tDlvWDjczy76uLTr3EMHa-WrEk,3340
30
30
  workbench/api/__init__.py,sha256=kvrP70ypDOMdPGj_Eeftdh8J0lu_1qQVne6GXMkD4_E,1027
31
- workbench/api/compound.py,sha256=BHd3Qu4Ra45FEuwiowhFfGMI_HKRRB10XMmoS6ljKrM,2541
31
+ workbench/api/compound.py,sha256=kf5EaM5qjWwsZutcxqj9IC_MPnDV1uVHDMns9OA_GOo,2545
32
32
  workbench/api/data_source.py,sha256=Ngz36YZWxFfpJbmURhM1LQPYjh5kdpZNGo6_fCRePbA,8321
33
33
  workbench/api/df_store.py,sha256=Wybb3zO-jPpAi2Ns8Ks1-lagvXAaBlRpBZHhnnl3Lms,6131
34
34
  workbench/api/endpoint.py,sha256=RWGqxsCW_pMiENMb_XZlm2ZCldMS4suEBM3F5gT3hYI,3814
@@ -36,7 +36,7 @@ workbench/api/feature_set.py,sha256=Yxei3tvWR4gSLcdJnNndux07dNeKNu1HKgsChJtHxEM,
36
36
  workbench/api/graph_store.py,sha256=LremJyPrQFgsHb7hxsctuCsoxx3p7TKtaY5qALHe6pc,4372
37
37
  workbench/api/meta.py,sha256=1_9989cPvf3hd3tA-83hLijOGNnhwXAF8aZF45adeDQ,8596
38
38
  workbench/api/model.py,sha256=RkFVXnlLcMlzNKRUFr_GCmZ7IQJMyhB2lwMwd22HBBo,4691
39
- workbench/api/monitor.py,sha256=kQHSFiVLRWnHekSdatMKR3QbRj1BBNrVXpZgvV83LPM,5027
39
+ workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
40
40
  workbench/api/parameter_store.py,sha256=7BObkuATuP6C5AG_46kCWsmuCwuh1vgMJDBSN0gTkwM,4294
41
41
  workbench/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
42
42
  workbench/cached/__init__.py,sha256=wvTyIFvusv2HjU3yop6OSr3js5_-SZuR8nPmlCuZQJ4,525
@@ -51,12 +51,13 @@ workbench/core/artifacts/__init__.py,sha256=ps7rA_rbWnDbvWbg4kvu--IKMY8WmbPRyv4S
51
51
  workbench/core/artifacts/artifact.py,sha256=AtTw8wfMd-fi7cHJHsBAXHUk53kRW_6lyBwwsIbHw54,17750
52
52
  workbench/core/artifacts/athena_source.py,sha256=RNmCe7s6uH4gVHpcdJcL84aSbF5Q1ahJBLLGwHYRXEU,26081
53
53
  workbench/core/artifacts/cached_artifact_mixin.py,sha256=ngqFLZ4cQx_TFouXZgXZQsv_7W6XCvxVGXXSfzzaft8,3775
54
+ workbench/core/artifacts/data_capture_core.py,sha256=jOMLK2N8jst6WBbZ-XEVwnGz2JKiKS5RY84hMv5o_g4,14579
54
55
  workbench/core/artifacts/data_source_abstract.py,sha256=5IRCzFVK-17cd4NXPMRfx99vQAmQ0WHE5jcm5RfsVTg,10619
55
56
  workbench/core/artifacts/data_source_factory.py,sha256=YL_tA5fsgubbB3dPF6T4tO0rGgz-6oo3ge4i_YXVC-M,2380
56
- workbench/core/artifacts/endpoint_core.py,sha256=CtLo_eqONpDvyyYtjRkrrujVVv6cJV-vRQxHef6MYdk,48841
57
+ workbench/core/artifacts/endpoint_core.py,sha256=lwgiz0jttW8C4YqcKaA8nf231WI3kol-nLnKcAbFJko,49049
57
58
  workbench/core/artifacts/feature_set_core.py,sha256=055VdSYR09HP4ygAuYvIYtHQ7Ec4XxsZygpgEl5H5jQ,29136
58
59
  workbench/core/artifacts/model_core.py,sha256=6d5dV4DGUBgD9E_Gpk0F5x7OEc4oiDKokvA8m42vnK4,51724
59
- workbench/core/artifacts/monitor_core.py,sha256=BvJ8gMxZXYZeMzAC25PVTXWiyXKtxD1qK6LqDcIByzs,37657
60
+ workbench/core/artifacts/monitor_core.py,sha256=M307yz7tEzOEHgv-LmtVy9jKjSbM98fHW3ckmNYrwlU,27897
60
61
  workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
61
62
  workbench/core/cloud_platform/aws/README.md,sha256=QT5IQXoUHbIA0qQ2wO6_2P2lYjYQFVYuezc22mWY4i8,97
62
63
  workbench/core/cloud_platform/aws/aws_account_clamp.py,sha256=vAVC_HEk1YGSlo5F2bhQlWUxPN2QgRe3ht73O42faWQ,6452
@@ -96,7 +97,7 @@ workbench/core/transforms/data_to_features/heavy/glue/Readme.md,sha256=TuyCatWfo
96
97
  workbench/core/transforms/data_to_features/heavy/storage/data_to_features_heavy_old.py,sha256=tIfmnUjUAYpJhyHjHmM2D6jIt1pN7SabBqS8exV6f40,6438
97
98
  workbench/core/transforms/data_to_features/light/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
98
99
  workbench/core/transforms/data_to_features/light/data_to_features_light.py,sha256=CvybCeWom6CMkVJEf3gyD3MWCgntTUtWtRIF6v9Q_iU,3592
99
- workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=lxbK8EO4GdBs56mNNjf6GuE9ciNcVUolqcmlVT-0HsE,2460
100
+ workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=dOAJsei8-JYoPMzhKQjQVHex7Vx_KexQGQXOQSezq7w,2436
100
101
  workbench/core/transforms/features_to_features/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
101
102
  workbench/core/transforms/features_to_features/heavy/emr/Readme.md,sha256=YtQgCEQeKe0CQXQkhzMTYq9xOtCsCYb5P5LW2BmRKWQ,68
102
103
  workbench/core/transforms/features_to_features/heavy/glue/Readme.md,sha256=TuyCatWfoDr99zUwvOcxf-TqMkQzaMqXlj5nmFcRzfo,48
@@ -123,11 +124,11 @@ workbench/core/views/view_utils.py,sha256=y0YuPW-90nAfgAD1UW_49-j7Mvncfm7-5rV8I_
123
124
  workbench/core/views/storage/mdq_view.py,sha256=qf_ep1KwaXOIfO930laEwNIiCYP7VNOqjE3VdHfopRE,5195
124
125
  workbench/model_scripts/script_generation.py,sha256=dL23XYwEsHIStc7i53DtF_47FqOrI9gq0kQAT6sNpZ8,7923
125
126
  workbench/model_scripts/custom_models/chem_info/Readme.md,sha256=mH1lxJ4Pb7F5nBnVXaiuxpi8zS_yjUw_LBJepVKXhlA,574
126
- workbench/model_scripts/custom_models/chem_info/local_utils.py,sha256=Rsz_VRoA3O3-VoitmN8o5OymstsF433QgdSRHc-iZ24,29071
127
- workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=E8SK4oOHaYnYx4ycQJ6R7yg799kjtbipM3KEc8SPArQ,3011
127
+ workbench/model_scripts/custom_models/chem_info/mol_descriptors.py,sha256=N07kGqyLd9DE9S23WfPqXGO5NMQzNxe0jtl1RgtC4yY,18315
128
+ workbench/model_scripts/custom_models/chem_info/mol_standardize.py,sha256=-BMtNzZSbXFnfoxFESHdfg7yjXO83JVecpIEsj39eDM,17145
129
+ workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=xljMjdfh4Idi4v1Afq1zZxvF1SDa7pDOLSAhvGBEj88,2891
128
130
  workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py,sha256=tMyMmeN1xajVWkqkV5mobYB8CYkzW9FRH8Vi3t81uo8,3231
129
131
  workbench/model_scripts/custom_models/chem_info/requirements.txt,sha256=7HBUzvNiM8lOir-UfQabXYlUp3gxdGJ42u18EuSMGjc,39
130
- workbench/model_scripts/custom_models/chem_info/tautomerize.py,sha256=KAxTAqtTql4_FvnrAyYRgaJEmtAx399HXA_iw_awa08,3125
131
132
  workbench/model_scripts/custom_models/meta_endpoints/example.py,sha256=hzOAuLhIGB8vei-555ruNxpsE1GhuByHGjGB0zw8GSs,1726
132
133
  workbench/model_scripts/custom_models/network_security/Readme.md,sha256=Z2gtiu0hLHvEJ1x-_oFq3qJZcsK81sceBAGAGltpqQ8,222
133
134
  workbench/model_scripts/custom_models/proximity/Readme.md,sha256=RlMFAJZgAT2mCgDk-UwR_R0Y_NbCqeI5-8DUsxsbpWQ,289
@@ -139,7 +140,7 @@ workbench/model_scripts/custom_models/uq_models/Readme.md,sha256=UVpL-lvtTrLqwBe
139
140
  workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template,sha256=U4LIlpp8Rbu3apyzPR7-55lvlutpTsCro_PUvQ5pklY,6457
140
141
  workbench/model_scripts/custom_models/uq_models/ensemble_xgb.template,sha256=0IJnSBACQ556ldEiPqR7yPCOOLJs1hQhHmPBvB2d9tY,13491
141
142
  workbench/model_scripts/custom_models/uq_models/gaussian_process.template,sha256=QbDUfkiPCwJ-c-4Twgu4utZuYZaAyeW_3T1IP-_tutw,6683
142
- workbench/model_scripts/custom_models/uq_models/generated_model_script.py,sha256=Xu-bzX-8_uiV6USRQOmS2G-D_33XTSM9Gixt8wzOY40,21535
143
+ workbench/model_scripts/custom_models/uq_models/generated_model_script.py,sha256=yJOL29TWtIAPbhuqK1m9w-MfWq0MVfJcI412VVgDO04,17583
143
144
  workbench/model_scripts/custom_models/uq_models/mapie.template,sha256=D94Y3U7IruGQlu9m6gXyLRjm502qZafYrwhEM9GP6oE,18337
144
145
  workbench/model_scripts/custom_models/uq_models/meta_uq.template,sha256=eawh0Fp3DhbdCXzWN6KloczT5ZS_ou4ayW65yUTTE4o,14109
145
146
  workbench/model_scripts/custom_models/uq_models/ngboost.template,sha256=9-O6P-SW50ul5Wl6es2DMWXSbrwOg7HWsdc8Qdln0MM,8278
@@ -158,11 +159,11 @@ workbench/model_scripts/quant_regression/requirements.txt,sha256=jWlGc7HH7vqyukT
158
159
  workbench/model_scripts/scikit_learn/generated_model_script.py,sha256=c73ZpJBlU5k13Nx-ZDkLXu7da40CYyhwjwwmuPq6uLg,12870
159
160
  workbench/model_scripts/scikit_learn/requirements.txt,sha256=aVvwiJ3LgBUhM_PyFlb2gHXu_kpGPho3ANBzlOkfcvs,107
160
161
  workbench/model_scripts/scikit_learn/scikit_learn.template,sha256=d4pgeZYFezUQsB-7iIsjsUgB1FM6d27651wpfDdXmI0,12640
161
- workbench/model_scripts/xgb_model/generated_model_script.py,sha256=nU9BLU0wIhK066HAgChgNLcuOM94vBqweoH8xB8wBeo,21152
162
+ workbench/model_scripts/xgb_model/generated_model_script.py,sha256=vxM9dxRwrAZoDwAkj-a7LNNcBNd3KpHdNrublpAIVQo,22194
162
163
  workbench/model_scripts/xgb_model/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
163
164
  workbench/model_scripts/xgb_model/xgb_model.template,sha256=HViJRsMWn393hP8VJRS45UQBzUVBhwR5sKc8Ern-9f4,17963
164
165
  workbench/repl/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
165
- workbench/repl/workbench_shell.py,sha256=eJ3rpYgEwZjhrVVCaJHht2N5BrimN6mbxqHXGrJmwC8,22130
166
+ workbench/repl/workbench_shell.py,sha256=Vhg4BQr2r4D4ymekrVtOFi0MaRvaH4V2UgcWRgvN_3U,22122
166
167
  workbench/resources/open_source_api.key,sha256=3S0OTblsmC0msUPdE_dbBmI83xJNmYscuwLJ57JmuOc,433
167
168
  workbench/resources/signature_verify_pub.pem,sha256=V3-u-3_z2PH-805ybkKvzDOBwAbvHxcKn0jLBImEtzM,272
168
169
  workbench/scripts/check_double_bond_stereo.py,sha256=p5hnL54Weq77ES0HCELq9JeoM-PyUGkvVSeWYF2dKyo,7776
@@ -198,7 +199,6 @@ workbench/utils/athena_utils.py,sha256=DDyLhJujzh1PfejtGU7ZzOf5hLPOgoXmi4Lrn-_AJ
198
199
  workbench/utils/aws_utils.py,sha256=x8c_WxtdSKmBqNg8P_Z6K2m4AsSMEiD_kh2nVaUZ28c,22077
199
200
  workbench/utils/bulk_utils.py,sha256=s1lYN2Uk536MNGetekLYL_VL0N34hUjk1FX9BAz3Qu0,1182
200
201
  workbench/utils/cache.py,sha256=0R5RXYEz_XHARK3anmQC4VRMawMks_cJ8S4vwC2roAE,5524
201
- workbench/utils/chem_utils.py,sha256=tLTAvLKTOiYSzbVQF0M8V5-ej36IVgr21CNB2vVJjYQ,56780
202
202
  workbench/utils/cloudwatch_handler.py,sha256=t0L280Qa1nMq95dwnf8lB5g8FHrQAyGY5S4JwP3yIa8,5165
203
203
  workbench/utils/cloudwatch_utils.py,sha256=wXSqKcJlSnHyC0D6d4RsH8wwmx_0CsffcetUgXlZ_78,4828
204
204
  workbench/utils/color_utils.py,sha256=TmDGLK44t975lkfjt_1O-ee02QxrKfke7vPuXb-V-Uo,11779
@@ -221,8 +221,8 @@ workbench/utils/license_manager.py,sha256=sDuhk1mZZqUbFmnuFXehyGnui_ALxrmYBg7gYw
221
221
  workbench/utils/log_utils.py,sha256=7n1NJXO_jUX82e6LWAQug6oPo3wiPDBYsqk9gsYab_A,3167
222
222
  workbench/utils/markdown_utils.py,sha256=4lEqzgG4EVmLcvvKKNUwNxVCySLQKJTJmWDiaDroI1w,8306
223
223
  workbench/utils/model_utils.py,sha256=JeEztmFyDJ7yqRozDX0L6apuhLgKx1sgNlO5duB73qc,11938
224
- workbench/utils/monitor_utils.py,sha256=ywoEdqoHY9t5PYRstjitS_halEWO6veCL_06BekmMVo,9153
225
- workbench/utils/pandas_utils.py,sha256=LQTfZ3WJkg3rIahNJhsz1YV2y_0DBG94lO-KMmEY1g0,39325
224
+ workbench/utils/monitor_utils.py,sha256=kVaJ7BgUXs3VPMFYfLC03wkIV4Dq-pEhoXS0wkJFxCc,7858
225
+ workbench/utils/pandas_utils.py,sha256=uTUx-d1KYfjbS9PMQp2_9FogCV7xVZR6XLzU5YAGmfs,39371
226
226
  workbench/utils/performance_utils.py,sha256=WDNvz-bOdC99cDuXl0urAV4DJ7alk_V3yzKPwvqgST4,1329
227
227
  workbench/utils/pipeline_utils.py,sha256=yzR5tgAzz6zNqvxzZR6YqsbS7r3QDKzBXozaM_ADXlc,2171
228
228
  workbench/utils/plot_utils.py,sha256=yFveic-4aY7lKT-CPhYdbIkBr-mZqjbhaRmCySWG_kE,6537
@@ -244,6 +244,17 @@ workbench/utils/workbench_event_bridge.py,sha256=z1GmXOB-Qs7VOgC6Hjnp2DI9nSEWepa
244
244
  workbench/utils/workbench_logging.py,sha256=WCuMWhQwibrvcGAyj96h2wowh6dH7zNlDJ7sWUzdCeI,10263
245
245
  workbench/utils/workbench_sqs.py,sha256=RwM80z7YWwdtMaCKh7KWF8v38f7eBRU7kyC7ZhTRuI0,2072
246
246
  workbench/utils/xgboost_model_utils.py,sha256=iiDJH0O81aO6aOTwgssqQygvTgjE7lRDRzLJ_fI3RVs,15554
247
+ workbench/utils/chem_utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
248
+ workbench/utils/chem_utils/fingerprints.py,sha256=Qvs8jaUwguWUq3Q3j695MY0t0Wk3BvroW-oWBwalMUo,5255
249
+ workbench/utils/chem_utils/misc.py,sha256=Nevf8_opu-uIPrv_1_0ubuFVVo2_fGUkMoLAHB3XAeo,7372
250
+ workbench/utils/chem_utils/mol_descriptors.py,sha256=N07kGqyLd9DE9S23WfPqXGO5NMQzNxe0jtl1RgtC4yY,18315
251
+ workbench/utils/chem_utils/mol_standardize.py,sha256=-BMtNzZSbXFnfoxFESHdfg7yjXO83JVecpIEsj39eDM,17145
252
+ workbench/utils/chem_utils/mol_tagging.py,sha256=8Bt6gHvyN8B2jvVuz12JgYMHVLDkCLnEPAfqkyMEoMc,9995
253
+ workbench/utils/chem_utils/projections.py,sha256=smV-VTB-pqRrgn4DXyDIpuCYcopJdPZ54YoCQv60JY0,7480
254
+ workbench/utils/chem_utils/salts.py,sha256=ZzFb6Z71Z_kMjVF-PKwHx0fn9pN9rPMj-oEY8Nt5JWA,9095
255
+ workbench/utils/chem_utils/sdf.py,sha256=wucyMtnmdg6onBa5N_sX6ONDE4PThJokImFxCBk22RI,10319
256
+ workbench/utils/chem_utils/toxicity.py,sha256=OmVvR05XjP8rLteQ0gjlC5tRh3WitjoahPnSLPhbUXQ,10195
257
+ workbench/utils/chem_utils/vis.py,sha256=ZnNv2o0mab3z09FP8oqtT3z7bAPtBJ61p5u15A2LR1s,8713
247
258
  workbench/web_interface/components/component_interface.py,sha256=QCPWqiZLkVsAEzQFEQxFelk7H0UF5uI2dVvJNf0lRV4,7980
248
259
  workbench/web_interface/components/correlation_matrix.py,sha256=Lv4vRta5-TdxBsu0G8Ea7hyyR3XyPes-k5AfL6qZWEc,6376
249
260
  workbench/web_interface/components/data_details_markdown.py,sha256=axDs6eXniglBmvFwIKjpJ5oyT-3D4FO9IcfA_cl-EJ8,9706
@@ -260,7 +271,7 @@ workbench/web_interface/components/plugins/confusion_matrix.py,sha256=1K94JSlDwQ
260
271
  workbench/web_interface/components/plugins/dashboard_status.py,sha256=4plmoiXj3dDjoQerUNpep_jfk50pI9rHvcoSP20UbE8,5832
261
272
  workbench/web_interface/components/plugins/data_details.py,sha256=pZm1AbM_0EXQwx77qUkfyrU9MedAs4Wlkp6iOtSrUtI,11104
262
273
  workbench/web_interface/components/plugins/endpoint_details.py,sha256=0A7g_Lx5-3XnDWOGT3YEDPNpmME_-WfYc65f-rRVjJE,3769
263
- workbench/web_interface/components/plugins/generated_compounds.py,sha256=hC0sh-1_rbN55Huno-E_2wF37kgIHi5Mtaer6Xk5fRM,8052
274
+ workbench/web_interface/components/plugins/generated_compounds.py,sha256=A6JGlkl7buZUugPK21YgufVFDRoGlHJowaqf8PAmz_s,8056
264
275
  workbench/web_interface/components/plugins/graph_plot.py,sha256=JFzuSH_CkEmlaLAgFpzmiEpS3sXov0ycnCfP0VLsK2g,14502
265
276
  workbench/web_interface/components/plugins/license_details.py,sha256=UyMSBGxEgdp3m9szDkDUAl_Ua8C5a4RNMdYpYCx354M,5497
266
277
  workbench/web_interface/components/plugins/model_details.py,sha256=BBvT3zdGHpRWz4V9SpNO0AFMPaExWMbNAE1_onfCGRI,10294
@@ -277,9 +288,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
277
288
  workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
278
289
  workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
279
290
  workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
280
- workbench-0.8.172.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
281
- workbench-0.8.172.dist-info/METADATA,sha256=YSJh5jhFQMb27UB6IcfAS3REU5-2g488p8U0AVRkNV8,9210
282
- workbench-0.8.172.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
283
- workbench-0.8.172.dist-info/entry_points.txt,sha256=zPFPruY9uayk8-wsKrhfnIyIB6jvZOW_ibyllEIsLWo,356
284
- workbench-0.8.172.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
285
- workbench-0.8.172.dist-info/RECORD,,
291
+ workbench-0.8.174.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
292
+ workbench-0.8.174.dist-info/METADATA,sha256=ABNffIi526f83ZgwjI3kxSv0yhpeTo3ruM8fwmJL7ks,9210
293
+ workbench-0.8.174.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
294
+ workbench-0.8.174.dist-info/entry_points.txt,sha256=zPFPruY9uayk8-wsKrhfnIyIB6jvZOW_ibyllEIsLWo,356
295
+ workbench-0.8.174.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
296
+ workbench-0.8.174.dist-info/RECORD,,