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Create compute config for estimating density

Status: Open.

#72 In openforcefield/dimsim;

· mattwthompson opened on Apr 16, 2026

Create configs for estimating properties

Status: Open.

#71 In openforcefield/dimsim;

· mattwthompson opened on Apr 16, 2026

Create Parsl compute graph for density estimation

Status: Open.

#70 In openforcefield/dimsim;

· mattwthompson opened on Apr 14, 2026

Parsing duplicate ThermoML entries

Status: Open.

#68 In openforcefield/dimsim;

· mattwthompson opened on Apr 13, 2026

KeyError in ThermoML parsing stops file-parsing on first error, ignoring later properties

Status: Open.

#65 In openforcefield/dimsim;

· lilyminium opened on Apr 8, 2026

Try loading entire ThermoML archive

Status: Open.

#62 In openforcefield/dimsim;

· mattwthompson opened on Apr 1, 2026

Rework docs building

Status: Open.

#60 In openforcefield/dimsim;

· mattwthompson opened on Apr 1, 2026

Runtime type-checking of DataEntry?

Status: Open.

#56 In openforcefield/dimsim;

· mattwthompson opened on Mar 25, 2026

Re-use Evaluator's Substance classes?

Status: Open.

#40 In openforcefield/dimsim;

· mattwthompson opened on Feb 16, 2026

Use openff-packmol 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