Issues · openforcefield/openff-toolkit · GitHub

FileNotFoundError: '[...]/data/defaults.txt/constants.txt'
#2044 · j-wags opened on Apr 10, 2025
3

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Which versions of OpenFF-toolkit work with Python 3.10?

#2177

· HoaSoup opened

on Apr 28, 2026

Include AshGC in assign_partial_charges docs

#2176

· j-wags opened

on Apr 28, 2026

xmltodict <=1.0.2?

#2175

· mkrompiec opened

on Apr 27, 2026

`Molecule.to_inchi` does not fall back through wrapped toolkits as expected

#2172

· mattwthompson opened

on Apr 21, 2026

Add `Topology.solvate`

#2171

· mattwthompson opened

on Apr 10, 2026

mmCIF/PDBx support

#2159

· whmidgley opened

on Mar 5, 2026

Misleading error message for adding a duplicate VirtualSite parameter

#2157

· lilyminium opened

on Feb 25, 2026

Isomorphism comparisons are (still) slow on similar large molecules (tautomer)

#2155

· FinnOD opened

on Feb 23, 2026

Support installing with pip

#2154

· peastman opened

on Feb 18, 2026

`ForceField.label_molecules` docstring outdated

#2153

· mattwthompson opened

on Feb 18, 2026

[nonblocking] aromaticity_model doesn't propagate

#2152

· jaclark5 opened

on Feb 18, 2026

Vsite serialization is failing

#2150

· j-wags opened

on Feb 16, 2026