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Commits : Listings

Analyzed 3 months ago. based on code collected 3 months ago.
Jan 16, 2024 — Jan 16, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Make sure that FreeSASA can be built as DLL on Windows (#7985) More... 5 months ago
fix #8019 (#8020) More... 5 months ago
Fix some minor issues reported by ubsan and the compiler (#8015) More... 5 months ago
Catch exceptions in MultithreadedMolSupplier callbacks (#7810) More... 5 months ago
Throw when attempting to normalize a Zero RDGeom::Point (#8008) More... 5 months ago
avoid division by zero (#8013) More... 5 months ago
remove no-op macros and dead code (pt 1) (#8012) More... 5 months ago
SynthonSpace Search (#7978) More... 5 months ago
look at y if x is very small (#8011) More... 5 months ago
implemented JSON parsers for SanitizeFlags and RemoveHsParameters for CFFI and MinimalLib (#8000) More... 5 months ago
fix potential division by zero (#8007) More... 5 months ago
expanded documentaiton in Chem and AllChem (#8004) More... 5 months ago
Expose tautomer scoring functions to python (#7994) More... 5 months ago
Fix for kekuleAtrop wedge error (#7992) More... 5 months ago
Mol to smiles docs (#8005) More... 5 months ago
fixes #8001 (#8002) More... 5 months ago
Expose molzip functionality to MinimalLib (#7959) More... 5 months ago
Update SMILES parsing syntax error to include bad token position (#7979) More... 5 months ago
Remove unused code from GraphMol/SmilesParse (#7996) More... 5 months ago
Fix incorrect CIP values for some aromatic atropisomers (#7957) More... 5 months ago
Fixes #7989 Incorrect benzyl deprotection reaction (#7990) More... 5 months ago
Fix for trimethylcyclohexane error (#7949) More... 5 months ago
Expose propertyFlags to CFFI and MinimalLib (#7960) More... 5 months ago
Fixed #7986 (#7987) More... 5 months ago
Use .dylib on macOS for PostgreSQL 16+ (#7869) More... 5 months ago
Move CI builds to macos-14 (#7968) More... 5 months ago
Convert reaction fingerprinter to use FingerprintGenerators (#7931) More... 5 months ago
- remove deprecation warnings by switching MinimalLib to fingerprint generators (#7938) More... 5 months ago
GitHub 7865 haspropwithvaluequery leaks (#7872) More... 5 months ago
Allow inclusion of molecule names in ScaffoldNetwork (#7956) More... 5 months ago