enzymetk 0.0.1__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.
Files changed (44) hide show
  1. enzymetk/__init__.py +56 -0
  2. enzymetk/annotateEC_CLEAN_step.py +122 -0
  3. enzymetk/annotateEC_CREEP_step.py +82 -0
  4. enzymetk/annotateEC_proteinfer_step.py +136 -0
  5. enzymetk/dock_chai_step.py +51 -0
  6. enzymetk/dock_vina_step.py +63 -0
  7. enzymetk/embedchem_chemberta_step.py +61 -0
  8. enzymetk/embedchem_rxnfp_run.py +28 -0
  9. enzymetk/embedchem_rxnfp_step.py +55 -0
  10. enzymetk/embedchem_selformer_run.py +28 -0
  11. enzymetk/embedchem_selformer_step.py +39 -0
  12. enzymetk/embedchem_unimol_step.py +57 -0
  13. enzymetk/embedprotein_esm_step.py +123 -0
  14. enzymetk/esm-extract.py +140 -0
  15. enzymetk/filter_sequence_step.py +0 -0
  16. enzymetk/filter_structure_step.py +0 -0
  17. enzymetk/generate_msa_step.py +61 -0
  18. enzymetk/generate_oligopool_step.py +0 -0
  19. enzymetk/generate_tree_step.py +74 -0
  20. enzymetk/inpaint_ligandMPNN_step.py +65 -0
  21. enzymetk/main.py +37 -0
  22. enzymetk/metagenomics_porechop_trim_reads_step.py +55 -0
  23. enzymetk/metagenomics_prokka_annotate_genes.py +59 -0
  24. enzymetk/pipeline.py +1 -0
  25. enzymetk/predict_activity_step.py +0 -0
  26. enzymetk/predict_catalyticsite_run.py +47 -0
  27. enzymetk/predict_catalyticsite_step.py +70 -0
  28. enzymetk/reducedim_pca_run.py +67 -0
  29. enzymetk/reducedim_vae_run.py +67 -0
  30. enzymetk/reducedim_vae_step.py +12 -0
  31. enzymetk/save_step.py +13 -0
  32. enzymetk/sequence_search_blast.py +80 -0
  33. enzymetk/similarity_foldseek_step.py +114 -0
  34. enzymetk/similarity_mmseqs_step.py +80 -0
  35. enzymetk/similarity_reaction_step.py +60 -0
  36. enzymetk/similarity_substrate_step.py +59 -0
  37. enzymetk/step.py +60 -0
  38. enzymetk-0.0.1.data/data/LICENSE +0 -0
  39. enzymetk-0.0.1.dist-info/LICENSE +0 -0
  40. enzymetk-0.0.1.dist-info/METADATA +370 -0
  41. enzymetk-0.0.1.dist-info/RECORD +44 -0
  42. enzymetk-0.0.1.dist-info/WHEEL +5 -0
  43. enzymetk-0.0.1.dist-info/entry_points.txt +2 -0
  44. enzymetk-0.0.1.dist-info/top_level.txt +1 -0
enzymetk-0.0.1.dist-info/RECORD ADDED
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+ enzymetk/__init__.py,sha256=hJvEiNN7n7w7Z8iPgWs2yi0lesggWT6-bG9CcHbSoSw,2770
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+ enzymetk/annotateEC_CLEAN_step.py,sha256=J9_ybM8VGgH0DQ7ZR2q5eXWzgHGOs9LKUeYJLS1WLRA,5412
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+ enzymetk/annotateEC_CREEP_step.py,sha256=4OnqQJa0CJF-xb8zWyih5-SFHiqV-yPfUiqKUbsCLwE,4231
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+ enzymetk/annotateEC_proteinfer_step.py,sha256=GTy27Z5SyG2EPvlf9HTZZ-HRG8FrAs9p0G0OCPmcIW4,6245
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+ enzymetk/dock_chai_step.py,sha256=3LFnsmxmkKWesbM1pXxCUlPDDD0E93ezpojBdEEdVzw,1871
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+ enzymetk/dock_vina_step.py,sha256=_pPJ9ClpMYwPUl6Y7udqzrRzBJeKhENk3U3zy238PVY,3220
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+ enzymetk/embedchem_chemberta_step.py,sha256=uS7qf_adO0X_sACnCp3ULakTtepx0soHL9y6WMnaaqk,2328
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+ enzymetk/embedchem_rxnfp_run.py,sha256=n6ERAhql947-L0-_xvsBHLFyixjUW5yknDPHdM4CNOQ,1061
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+ enzymetk/embedchem_rxnfp_step.py,sha256=fmkJcuKpHllDNxkq0zV1jM2R7KREyEEG1KrVngOcvC8,2111
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+ enzymetk/embedchem_selformer_run.py,sha256=ibN7pbSRl1YqpHgVVaQKWpUk0E80U5ue_2dDlttn10M,1566
11
+ enzymetk/embedchem_selformer_step.py,sha256=UQkRc6V7N1Zk3p4gR_MEKALX45bhhGw_8_xc5kM44Yw,1461
12
+ enzymetk/embedchem_unimol_step.py,sha256=9KL4bto2O1YujZy5UpauBtGlIEUwTRMa8raVqFnX0zQ,2133
13
+ enzymetk/embedprotein_esm_step.py,sha256=Qw4UiftDh5wptvy2NVW-yZmuk__yVHSIL_h-vqeMHqc,5811
14
+ enzymetk/esm-extract.py,sha256=W9n9--Pde2uUuIQP9LrPMHlLZGfpKvrJQ-SuTvGRYmc,5160
15
+ enzymetk/filter_sequence_step.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
16
+ enzymetk/filter_structure_step.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
17
+ enzymetk/generate_msa_step.py,sha256=w-CrKPMxAwqjsbPQcRq3HP12FyiyuDq0qnt0ObsVhPk,2325
18
+ enzymetk/generate_oligopool_step.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
19
+ enzymetk/generate_tree_step.py,sha256=eee2pILdm3lxVYTsO3CoTCwbY7MfdSK3ve84uMkLwnY,3130
20
+ enzymetk/inpaint_ligandMPNN_step.py,sha256=t3A0znvgB44MnAQn_hebOMuhASN2qObbzYLGf8nTPbo,3013
21
+ enzymetk/main.py,sha256=aY9dEM0a_1jnIJaRTrysLD4KqD5vWMx2OTavh3s4ZxA,1789
22
+ enzymetk/metagenomics_porechop_trim_reads_step.py,sha256=0-wEDqMRFr5c8TtzUmbgUL6S1UgigR5oOano1l_MYDU,2156
23
+ enzymetk/metagenomics_prokka_annotate_genes.py,sha256=VdBTkzUUwq4dMHMm-fb7CBVjTH57gRULLfrGJzqBbWg,2572
24
+ enzymetk/pipeline.py,sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs,1
25
+ enzymetk/predict_activity_step.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
26
+ enzymetk/predict_catalyticsite_run.py,sha256=CqAgQQ6b_ZqAzAqVUBXNuy0GWZ73vc3acOWI44L0KEo,2782
27
+ enzymetk/predict_catalyticsite_step.py,sha256=Hdon3Ua-kJBABfln148gBNug3E3hpPrxDuVO_3BeC68,2904
28
+ enzymetk/reducedim_pca_run.py,sha256=SUCLrs9P2L8uGuWnkMcbn_mihtMzhVu3PynCaCjUA1Y,2969
29
+ enzymetk/reducedim_vae_run.py,sha256=SUCLrs9P2L8uGuWnkMcbn_mihtMzhVu3PynCaCjUA1Y,2969
30
+ enzymetk/reducedim_vae_step.py,sha256=bAp1jJESawvxyf2_PKXQAr9JsUcO6vWuHAU3PT0ScJA,235
31
+ enzymetk/save_step.py,sha256=g-1XvurzUNoIRO8pNOHlvVUyTU_87JW-ZFGf5asna2A,293
32
+ enzymetk/sequence_search_blast.py,sha256=WZd5yGynmcX3BRwMdTiBelzpRYbiK_qr8flTxWe33rw,3949
33
+ enzymetk/similarity_foldseek_step.py,sha256=fw0o2xOgMzaMtVQw-cXEIYCaadUvEwp3sz_sYrzQS8c,5356
34
+ enzymetk/similarity_mmseqs_step.py,sha256=FSne7ATtkPBDJzk_-c6W-ZHfGStiGNEtpWMerXlEZZU,3494
35
+ enzymetk/similarity_reaction_step.py,sha256=foreZD3rrIfso_XitfOtqL6bFR_WEXKFCy1spPAWWF8,2477
36
+ enzymetk/similarity_substrate_step.py,sha256=JknH0uhLc1OKVJbnXWtBIArgthXteijl7MuGWzBqVlA,2386
37
+ enzymetk/step.py,sha256=Nqkr6h9NT7_snkrxaRuze-qxUy3_aVzN8ciilkXGahs,1728
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+ enzymetk-0.0.1.data/data/LICENSE,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
39
+ enzymetk-0.0.1.dist-info/LICENSE,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
40
+ enzymetk-0.0.1.dist-info/METADATA,sha256=Pn3pl8TFitYoMFWisQiehqqNwkcaifEFf4HZHQsaN2o,20171
41
+ enzymetk-0.0.1.dist-info/WHEEL,sha256=In9FTNxeP60KnTkGw7wk6mJPYd_dQSjEZmXdBdMCI-8,91
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+ enzymetk-0.0.1.dist-info/entry_points.txt,sha256=RU3pSTXg2RyNLlc0asRpBYRkmv5GpRP7teeDY7Tr7e0,52
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+ enzymetk-0.0.1.dist-info/top_level.txt,sha256=Qct8wLw9EjZ4yfKaKeJHBjWWuoK_FwHZgbIBb6PwBgg,9
44
+ enzymetk-0.0.1.dist-info/RECORD,,
enzymetk-0.0.1.dist-info/WHEEL ADDED
@@ -0,0 +1,5 @@
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+ Wheel-Version: 1.0
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+ Generator: setuptools (75.8.0)
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+ Root-Is-Purelib: true
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+ Tag: py3-none-any
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+
enzymetk-0.0.1.dist-info/entry_points.txt ADDED
@@ -0,0 +1,2 @@
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+ [console_scripts]
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+ enzymetk = enzymetk.__main__:main
enzymetk-0.0.1.dist-info/top_level.txt ADDED
@@ -0,0 +1 @@
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+ enzymetk