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Reaction runner looses bond stereochemistry depending on when reactant is sanitized

bug

Status: Open.

#8744 In rdkit/rdkit;

· jones-gareth opened on Aug 29, 2025

Create a function to extract some specified atoms from a ROMol as a new ROMol by creating new graph

enhancement

Status: Open.

#8742 In rdkit/rdkit;

· whosayn opened on Aug 29, 2025

ForceField not returned due to atom type disappearing after adding H's for smiles='F[IH+]'

bug

Status: Open.

#8727 In rdkit/rdkit;

· AlexiaJM opened on Aug 22, 2025

Hydrides in organometallics removed import

bug

Status: Open.

#8726 In rdkit/rdkit;

· spparel opened on Aug 22, 2025

SMILES canonicalization is not idempotent

bug

Status: Open.

#8721 In rdkit/rdkit;

· stanleyjs opened on Aug 21, 2025

GetSubstructMatch Hangs Indefinitely on Molecules with High Symmetry

enhancement

Status: Open.

#8719 In rdkit/rdkit;

· youzhenhappy opened on Aug 20, 2025

Stereogroup Canonicalization is not standardized across RDKit

bug

Status: Open.

#8718 In rdkit/rdkit;

· paconius opened on Aug 19, 2025

Forcefield Gradient Scaling misses large negative gradients

bug

Status: Open.

#8716 In rdkit/rdkit;

· scal444 opened on Aug 19, 2025

Potentially incorrect gradient for ETKDG torsion term.

bug

Status: Open.

#8715 In rdkit/rdkit;

· scal444 opened on Aug 19, 2025

Modern stereo + 3D SD file leads to bad stereo detection for some molecules

bug

Status: Open.

#8712 In rdkit/rdkit;

· d-b-w opened on Aug 15, 2025

Assign COST=100 to PgSQL functions during CREATE FUNCTION rather than leaving unspecified

bug

Status: Open.

#8711 In rdkit/rdkit;

· dpdoughe opened on Aug 15, 2025

TautomerHashV2 erroneously detects tautomerism for these pairs

bug

Status: Open.

#8708 In rdkit/rdkit;

· d-b-w opened on Aug 14, 2025