Search results

Cluster parameters in (a) hyper specific force field

Status: Open.

#41 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 10, 2025

Cluster parameters in (b) general bond force field

Status: Open.

#40 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 10, 2025

Benchmark (a) hyper specific force field

Status: Open.

#39 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 10, 2025

Benchmark (b) general bond force field

Status: Open.

#38 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 10, 2025

Run benchmarking of openff-2.2.1

Status: Open.

#37 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 10, 2025

Run fit with specific smirks and general bond types

Status: Open.

#36 In openforcefield/back-to-school-jen;

· jaclark5 opened on Dec 9, 2025

Atom indices in uncovered bonds/angles don't correspond to real bonds/angles

Status: Open.

#30 In openforcefield/back-to-school-jen;

· jaclark5 opened on Sep 22, 2025

Run test fit with all bonds/angles defined

Status: Open.

#16 In openforcefield/back-to-school-jen;

· jaclark5 opened on Sep 3, 2025

Benchmark initial fit

Status: Open.

#9 In openforcefield/back-to-school-jen;

· jaclark5 opened on Aug 28, 2025