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rdkit_api

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58.4 kB

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3 contributors

History: 91 commits

Nanny7's picture

Fix reaction SMILES parsing and examples

d3c3431 6 months ago

__pycache__
Add SMILES to Name conversion tab 6 months ago
.gitattributes

1.52 kB
initial commit 6 months ago
.gitignore

785 Bytes
Add reaction visualizer API endpoint and improve error handling 6 months ago
README.md

2.26 kB
Update README with new reaction visualizer endpoint 6 months ago
app.py

49.7 kB
Fix reaction SMILES parsing and examples 6 months ago
force_rebuild.txt

30 Bytes
Fix case sensitivity: FractionCsp3 -> FractionCSP3 6 months ago
requirements.txt

163 Bytes
Add property calculator, molecular clustering, and scaffold analysis features 6 months ago