8000 Commits · bertiewooster/rdkit · GitHub

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Commits

Commits on May 8, 2025

fixes #8491 (#8512)
greglandrum
authored
Fixes #8424 (#8469)
greglandrum
authored
Fixes #8492 (#8493)
ricrogz
authored
Synthon space github8502 (#8509)

DavidACosgrove
and
David Cosgrove
authored
Fix arrowhead8500 (#8504)

DavidACosgrove
and
David Cosgrove
authored

Commits on May 5, 2025

Commits on May 1, 2025

Commits on Apr 30, 2025

Commits on Apr 28, 2025

Commits on Apr 27, 2025

ShapeInput from subset of atoms in molecule (#8449)

DavidACosgrove
and
David Cosgrove
authored

Commits on Apr 25, 2025

Commits on Apr 22, 2025

Commits on Apr 19, 2025

Protect Python DrawOptions from bad attributes. (#8453)
DavidACosgrove
authored

Commits on Apr 18, 2025

add function to overwrite __setattr__ to only accept valid arguments (#8448)
nmaeder
authored

Commits on Apr 17, 2025

Commits on Apr 16, 2025

Commits on Apr 15, 2025

Commits on Apr 14, 2025

Support pickling Shape inputs (#8434)

DavidACosgrove
and
David Cosgrove
authored

Commits on Apr 11, 2025

Check for PAINS_C file existence in update_pains.py script (#8431)

IridiumOxide
and
Filip Chmielewski
authored

Commits on Apr 10, 2025

Fixes #8420 (#8428)

greglandrum
and
ricrogz
authored

Commits on Apr 9, 2025

- do not free sslib until patternFpArray is still needed by the test (#8407)

ptosco
and
ptosco
authored
< 597E /div>
Enable the chiral flag on enumerated isomers (#8410)
ricrogz
authored

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