Search results

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 compute config for estimating heat of mixing

Status: Open.

#83 In openforcefield/dimsim;

· mattwthompson opened on May 28, 2026

Create compute config for estimating heat of vaporization

Status: Open.

#82 In openforcefield/dimsim;

· mattwthompson opened on May 28, 2026

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

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