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Use <code>openff-packmol</code> for initial coordinates?

system preparation

Status: Open.

#37 In openforcefield/dimsim;

· mattwthompson opened on Feb 12, 2026

Use RDKit newer than 2023

Status: Open.

#35 In openforcefield/dimsim;

· mattwthompson opened on Feb 10, 2026

Switch to Pixi

Status: Open.

#31 In openforcefield/dimsim;

· mattwthompson opened on Feb 9, 2026

Add type-checking

tooling

Status: Open.

#29 In openforcefield/dimsim;

· mattwthompson opened on Feb 4, 2026

Tooling updates

tooling

Status: Open.

#27 In openforcefield/dimsim;

· mattwthompson opened on Feb 4, 2026

Port Evaluator plugins as non-plugins

Status: Open.

#26 In openforcefield/dimsim;

· mattwthompson opened on Feb 4, 2026

Comply with Evaluator licensing

Status: Open.

#25 In openforcefield/dimsim;

· mattwthompson opened on Feb 4, 2026

Job progress logging

planning

Status: Open.

#22 In openforcefield/dimsim;

· chrisiacovella opened on Jan 20, 2026

Fault tolerance

planning

Status: Open.

#21 In openforcefield/dimsim;

· chrisiacovella opened on Jan 20, 2026

Add deduplication logic to CoordinateStore

Status: Open.

#20 In openforcefield/dimsim;

· lilyminium opened on Jan 13, 2026

Add functionality to evaluate the energy of a box with a given OpenMM system

Status: Open.

#19 In openforcefield/dimsim;

· lilyminium opened on Jan 13, 2026

Add ability to check molecule equivalency via graph isomorphism

Status: Open.

#18 In openforcefield/dimsim;

· lilyminium opened on Jan 13, 2026