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Use value of target density when preparing liquid simulations from density data?

Status: Open.

#103 In openforcefield/dimsim;

· mattwthompson opened on Jul 14, 2026

Allow user to get job IDs from physical property targets

Status: Open.

#102 In openforcefield/dimsim;

· mattwthompson opened on Jul 14, 2026

Set up replicates when setting up jobs

Status: Open.

#101 In openforcefield/dimsim;

· mattwthompson opened on Jul 14, 2026

Add production configs

Status: Open.

#93 In openforcefield/dimsim;

· mattwthompson opened on Jun 15, 2026

Add equilibration configs

Status: Open.

#92 In openforcefield/dimsim;

· mattwthompson opened on Jun 15, 2026

Default for saving per-job files

Status: Open.

#86 In openforcefield/dimsim;

· mattwthompson opened on Jun 2, 2026

Create compute config for estimating osmotic coefficient

Status: Open.

#84 In openforcefield/dimsim;

· mattwthompson opened on May 28, 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

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