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rdkit_api

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60.1 kB

3 contributors

History: 94 commits

Nanny7's picture

Fix reaction visualization to properly parse SMILES and show correct molecular structures

51b4bcc 3 months ago

__pycache__
Add SMILES to Name conversion tab 3 months ago
.gitattributes
1.52 kB

initial commit 3 months ago
.gitignore
785 Bytes

Add reaction visualizer API endpoint and improve error handling 3 months ago
README.md
2.26 kB

Update README with new reaction visualizer endpoint 3 months ago
app.py
51.3 kB

Fix reaction visualization to properly parse SMILES and show correct molecular structures 3 months ago
force_rebuild.txt
30 Bytes

Fix case sensitivity: FractionCsp3 -> FractionCSP3 3 months ago
requirements.txt
163 Bytes

Add property calculator, molecular clustering, and scaffold analysis features 3 months ago