R

RDKit

Settings | Report Duplicate

1

I Use This!

Activity Not Available

Commits : Listings

Analyzed 6 months ago. based on code collected 6 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Feb 05, 2025 — Feb 05, 2026 Showing page 1 of 345 Search / Filter on:
Don't silently ignore missing or extra atoms/bonds in copyMolSubset (#9089)	Brian Kelley	More...				6 months ago
Another canonicalization fix (#9082)	Ricardo Rodriguez	More...				6 months ago
Move some fields and methods from AtomPDBResidueInfo to base class (#8863)	Rachel Walker	More...				6 months ago
Get things working with numpy 2.4 and pandas 3.0 (#9072)	Greg Landrum	More...				6 months ago
cleanup of stereogroups and wedges for non-chiral sites (#9051)	tadhurst-cdd	More...				6 months ago
Fixes #8997 (#9060)	Greg Landrum	More...				6 months ago
Store CIP-ranked anchors after CIP labeling. (#9056)	Ricardo Rodriguez	More...				6 months ago
Handle chiral atoms with 2 hydrogens in SCSR parser (#8939)	tadhurst-cdd	More...				6 months ago
CXSMILES: do not add separators for unserializable Substance Groups (#9048)	Ricardo Rodriguez	More...				6 months ago
Transform::SetRotationFromQuaternion takes const. (#9063)	David Cosgrove	More...				7 months ago
Fix removing (non)redundant bond dir specs when exporting SMILES (#9066)	Ricardo Rodriguez	More...				7 months ago
Move some more tests over to catch2 (#9058)	Greg Landrum	More...				7 months ago
implement hasPrimaryLabel (#9052)	Ricardo Rodriguez	More...				7 months ago
Fix deprecated literal operators and macro redefinition warnings for modern compilers (#9055)	Chris Von Bargen	More...				7 months ago
Update deprecation messages for valence methods (#9050)	Philip Ullmann	More...				7 months ago
added FABS to test for issue #4364 (#9053)	tadhurst-cdd	More...				7 months ago
Performance improvement: Implement buffered reading for SDMolSupplier (#9010)	Raul Sofia	More...				7 months ago
Read SD property names till the last '>' (#9047)	Ricardo Rodriguez	More...				7 months ago
MolAlign: brace-init BestAlignmentParams in wrapper (#9042)	Yakov Pechersky	More...				7 months ago
Check for correctly sized propertylists to avoid dropping molecules (#8921)	Brian Kelley	More...				7 months ago
In verbose output, check that the query molecule exists before using it. (#9040)	David Cosgrove	More...				7 months ago
Allow molzip to position fragments when joining them (#9021)	Greg Landrum	More...				7 months ago
Fixes #9033 (#9036)	Greg Landrum	More...				7 months ago
Fixes #9020 (#9025)	Greg Landrum	More...				7 months ago
Improve POPCNT optimization flag handling (#9029)	wszqkzqk	More...				7 months ago
Github9007 (#9022)	David Cosgrove	More...				7 months ago
atropisomer bond atoms are checked explicitly for SP2 hybridization (#8974)	Yakov Pechersky	More...				7 months ago
Allow spaces and special chars in SCSR fullname attrs (#8982)	tadhurst-cdd	More...				7 months ago
Some more cleaning up in SMILES Writing (#8991)	Ricardo Rodriguez	More...				7 months ago
Support serializing/deserializing FP generators to JSON (#9000)	Greg Landrum	More...				8 months ago

←
1
2
3
4
5
6
7
8
9
…
344
345
→