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Commits
: Listings
Analyzed
3 months
ago. based on code collected
3 months
ago.
Jan 16, 2024 — Jan 16, 2025
Showing page 3 of 332
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Make sure that FreeSASA can be built as DLL on Windows (#7985)
Paolo Tosco
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5 months ago
fix #8019 (#8020)
Paolo Tosco
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5 months ago
Fix some minor issues reported by ubsan and the compiler (#8015)
Ricardo Rodriguez
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5 months ago
Catch exceptions in MultithreadedMolSupplier callbacks (#7810)
Ivan Tubert-Brohman
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5 months ago
Throw when attempting to normalize a Zero RDGeom::Point (#8008)
Ricardo Rodriguez
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5 months ago
avoid division by zero (#8013)
Ricardo Rodriguez
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5 months ago
remove no-op macros and dead code (pt 1) (#8012)
Hussein Faara
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5 months ago
SynthonSpace Search (#7978)
David Cosgrove
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5 months ago
look at y if x is very small (#8011)
Ricardo Rodriguez
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5 months ago
implemented JSON parsers for SanitizeFlags and RemoveHsParameters for CFFI and MinimalLib (#8000)
Paolo Tosco
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5 months ago
fix potential division by zero (#8007)
Ricardo Rodriguez
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5 months ago
expanded documentaiton in Chem and AllChem (#8004)
Greg Landrum
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5 months ago
Expose tautomer scoring functions to python (#7994)
Brian Kelley
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5 months ago
Fix for kekuleAtrop wedge error (#7992)
tadhurst-cdd
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5 months ago
Mol to smiles docs (#8005)
David Cosgrove
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5 months ago
fixes #8001 (#8002)
Greg Landrum
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5 months ago
Expose molzip functionality to MinimalLib (#7959)
Paolo Tosco
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5 months ago
Update SMILES parsing syntax error to include bad token position (#7979)
Hussein Faara
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5 months ago
Remove unused code from GraphMol/SmilesParse (#7996)
Hussein Faara
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5 months ago
Fix incorrect CIP values for some aromatic atropisomers (#7957)
tadhurst-cdd
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5 months ago
Fixes #7989 Incorrect benzyl deprotection reaction (#7990)
Brian Kelley
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5 months ago
Fix for trimethylcyclohexane error (#7949)
tadhurst-cdd
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5 months ago
Expose propertyFlags to CFFI and MinimalLib (#7960)
Paolo Tosco
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5 months ago
Fixed #7986 (#7987)
Greg Landrum
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5 months ago
Use .dylib on macOS for PostgreSQL 16+ (#7869)
Michael Cho
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5 months ago
Move CI builds to macos-14 (#7968)
Greg Landrum
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5 months ago
Convert reaction fingerprinter to use FingerprintGenerators (#7931)
Greg Landrum
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5 months ago
- remove deprecation warnings by switching MinimalLib to fingerprint generators (#7938)
Paolo Tosco
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5 months ago
GitHub 7865 haspropwithvaluequery leaks (#7872)
Brian Kelley
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5 months ago
Allow inclusion of molecule names in ScaffoldNetwork (#7956)
PatrickPenner
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5 months ago
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