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lynxkite / examples /Cheminformatics

2.86 MB

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15 contributors

History: 11 commits

darabos's picture

Restore Cheminformatics example workspace.

c53e4f2 6 months ago

ChEMBL API uses.lynxkite.json

222 kB
Rename Cheminfo workspaces to have pretty names. about 1 year ago
Example workspace.lynxkite.json

1.41 MB
Restore Cheminformatics example workspace. 6 months ago
Model NN SAR.lynxkite.json

14.3 kB
Rename Cheminfo workspaces to have pretty names. about 1 year ago
Model test.lynxkite.json

1.72 kB
Rename Cheminfo workspaces to have pretty names. about 1 year ago
Neural QSAR Model.lynxkite.json

89.8 kB
Rename Cheminfo workspaces to have pretty names. about 1 year ago
QSAR example.lynxkite.json

806 kB
Fix capitalization in box names. about 1 year ago
RCSB use case.lynxkite.json

254 kB
Fix capitalization in box names. about 1 year ago
chem_utils.py

9.28 kB
Remove `matplotlib.use("agg")` workarounds. about 1 year ago
chembl_tools.py

6.71 kB
Remove docs. "lynxkite.core" is now "lynxkite_core". 12 months ago
cheminfo_tools.py

39 kB
Restore Cheminformatics example workspace. 6 months ago
draw_molecules.py

980 Bytes
Restore Cheminformatics example workspace. 6 months ago
rcsb_api.py

6.05 kB
Restore Cheminformatics example workspace. 6 months ago
requirements.txt

89 Bytes
Restore Cheminformatics example workspace. 6 months ago