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lynxkite / examples /Cheminformatics

1.47 MB

15 contributors

History: 10 commits

darabos's picture

Remove docs. "lynxkite.core" is now "lynxkite_core".

aa7be3b 6 months ago

ChEMBL API uses.lynxkite.json
222 kB

Rename Cheminfo workspaces to have pretty names. 8 months ago
Example workspace.lynxkite.json
23.8 kB

Update Cheminformatrics use Cases (#155) 9 months ago
Model NN SAR.lynxkite.json
14.3 kB

Rename Cheminfo workspaces to have pretty names. 8 months ago
Model test.lynxkite.json
1.72 kB

Rename Cheminfo workspaces to have pretty names. 8 months ago
Neural QSAR Model.lynxkite.json
89.8 kB

Rename Cheminfo workspaces to have pretty names. 8 months ago
QSAR example.lynxkite.json
806 kB

Fix capitalization in box names. 8 months ago
RCSB use case.lynxkite.json
254 kB

Fix capitalization in box names. 8 months ago
chem_utils.py
9.28 kB

Remove `matplotlib.use("agg")` workarounds. 8 months ago
chembl_tools.py
6.71 kB

Remove docs. "lynxkite.core" is now "lynxkite_core". 6 months ago
cheminfo_tools.py
39.2 kB

Remove docs. "lynxkite.core" is now "lynxkite_core". 6 months ago
rcsb_api.py
7.55 kB

Remove docs. "lynxkite.core" is now "lynxkite_core". 6 months ago
requirements.txt
149 Bytes

Revert "Revert "Abhik update"" 8 months ago