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rdkit

The official sources for the RDKit library

HTMLEmerging

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Contributors

8

Last push

7mo ago

Recent commits

Latest commits.

Fixes a bug with chirality perception of T-shaped centers in very large rings (#8930)
60940f5Greg Landrum7mo ago
Fixes for nontetrahedral stereo parsing from SMILES/SMARTS (#8932)
1a43f1cGreg Landrum7mo ago
Incremental synthon search (#8855)
bda9ffbJustin Gullingsrud8mo ago
Do not reset the ringInfo information when adding bonds to RWMol (#8934)
adf72c9Greg Landrum8mo ago
Change extern types to static consts (#8765)
732a633Chris Von Bargen8mo ago

Allow using generators for similarity maps (#8912)

9a4cca3Greg Landrum8mo ago

Allow abbreviations without XBonds (#8933)

84bef7aGreg Landrum8mo ago

added new attributes for scsr template as per BIOVIA doc 2023 (#8911)

c948297tadhurst-cdd8mo ago

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