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High Activity
Commits
: Listings
Analyzed
2 days
ago. based on code collected
3 days
ago.
Nov 21, 2023 — Nov 21, 2024
Showing page 1 of 330
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Make sure that FreeSASA can be built as DLL on Windows (#7985)
Paolo Tosco
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4 days ago
fix #8019 (#8020)
Paolo Tosco
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4 days ago
Fix some minor issues reported by ubsan and the compiler (#8015)
Ricardo Rodriguez
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4 days ago
Catch exceptions in MultithreadedMolSupplier callbacks (#7810)
Ivan Tubert-Brohman
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5 days ago
Throw when attempting to normalize a Zero RDGeom::Point (#8008)
Ricardo Rodriguez
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5 days ago
avoid division by zero (#8013)
Ricardo Rodriguez
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5 days ago
remove no-op macros and dead code (pt 1) (#8012)
Hussein Faara
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5 days ago
SynthonSpace Search (#7978)
David Cosgrove
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7 days ago
look at y if x is very small (#8011)
Ricardo Rodriguez
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7 days ago
implemented JSON parsers for SanitizeFlags and RemoveHsParameters for CFFI and MinimalLib (#8000)
Paolo Tosco
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8 days ago
fix potential division by zero (#8007)
Ricardo Rodriguez
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9 days ago
expanded documentaiton in Chem and AllChem (#8004)
Greg Landrum
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9 days ago
Expose tautomer scoring functions to python (#7994)
Brian Kelley
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9 days ago
Fix for kekuleAtrop wedge error (#7992)
tadhurst-cdd
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9 days ago
Mol to smiles docs (#8005)
David Cosgrove
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10 days ago
fixes #8001 (#8002)
Greg Landrum
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10 days ago
Expose molzip functionality to MinimalLib (#7959)
Paolo Tosco
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12 days ago
Update SMILES parsing syntax error to include bad token position (#7979)
Hussein Faara
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12 days ago
Remove unused code from GraphMol/SmilesParse (#7996)
Hussein Faara
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13 days ago
Fix incorrect CIP values for some aromatic atropisomers (#7957)
tadhurst-cdd
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15 days ago
Fixes #7989 Incorrect benzyl deprotection reaction (#7990)
Brian Kelley
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17 days ago
Fix for trimethylcyclohexane error (#7949)
tadhurst-cdd
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17 days ago
Expose propertyFlags to CFFI and MinimalLib (#7960)
Paolo Tosco
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17 days ago
Fixed #7986 (#7987)
Greg Landrum
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18 days ago
Use .dylib on macOS for PostgreSQL 16+ (#7869)
Michael Cho
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23 days ago
Move CI builds to macos-14 (#7968)
Greg Landrum
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24 days ago
Convert reaction fingerprinter to use FingerprintGenerators (#7931)
Greg Landrum
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24 days ago
- remove deprecation warnings by switching MinimalLib to fingerprint generators (#7938)
Paolo Tosco
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25 days ago
GitHub 7865 haspropwithvaluequery leaks (#7872)
Brian Kelley
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25 days ago
Allow inclusion of molecule names in ScaffoldNetwork (#7956)
PatrickPenner
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25 days ago
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