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Look into OpenMM 8.5 differences

dependenciesPull requests that update a dependency filePull requests that update a dependency file

Status: Open.

#255 In openforcefield/yammbs;

· mattwthompson opened on May 13, 2026

Support MLPs

Status: Open.

#247 In openforcefield/yammbs;

· mattwthompson opened on Apr 13, 2026

Fix deadlock

Status: Open.

#236 In openforcefield/yammbs;

· mattwthompson opened on Mar 2, 2026

Look into RDKit vs OpenEye differences

Status: Open.

#234 In openforcefield/yammbs;

· mattwthompson opened on Feb 27, 2026

Improve minimisation performance by avoiding re-creating interchanges

Status: Open.

#228 In openforcefield/yammbs;

· fjclark opened on Feb 13, 2026

Plan the implementation

Status: Open.

Task

#227 In openforcefield/yammbs;

· jameseastwood opened on Feb 9, 2026

Cannot call MoleculeStore.get_metrics on a database that already has MM-optimized conformers

bugSomething isn't workingSomething isn't working

Status: Open.

#225 In openforcefield/yammbs;

· mattwthompson opened on Feb 6, 2026

Support 2D Torsion Scans

enhancementNew feature or requestNew feature or request

Status: Open.

#223 In openforcefield/yammbs;

· fjclark opened on Jan 30, 2026

Add Jupyter summary table to optimization submodule

Status: Open.

#222 In openforcefield/yammbs;

· mattwthompson opened on Jan 29, 2026

[Feat] Add direct MM vs QM comparisons

Status: Open.

#190 In openforcefield/yammbs;

· lilyminium opened on Nov 17, 2025

Averaging RMSDs/RMSEs in torsion scans

Status: Open.

#186 In openforcefield/yammbs;

· mattwthompson opened on Nov 11, 2025

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0.3.0

Document how to make a MoleculeStore from existing QM data

Status: Open.

#176 In openforcefield/yammbs;

· mattwthompson opened on Oct 27, 2025