Search results

Migrate to custom warnings, have warnings inherit from a common warning

code cleanup

reliability

Status: Open.

#1748 In openforcefield/openff-toolkit;

· mattwthompson opened on Oct 18, 2023

<code>unique_molecules</code> argument should not be optional

api breaking

code cleanup

effort:low

priority:low

Status: Open.

#1485 In openforcefield/openff-toolkit;

· Yoshanuikabundi opened on Dec 8, 2022

Custom exceptions

code cleanup

effort:high

priority:medium

Status: Open.

#771 In openforcefield/openff-toolkit;

· mattwthompson opened on Nov 17, 2020

Support pathlib.Path in place of path strings

code cleanup

effort:medium

good first issue

priority:low

Status: Open.

#740 In openforcefield/openff-toolkit;

· mattwthompson opened on Oct 7, 2020

Move toolkit wrapper-specific tests out of <code>test_molecule.py</code>

code cleanup

effort:medium

priority:medium

refactoring

tests

Status: Open.

#531 In openforcefield/openff-toolkit;

· jthorton opened on Feb 27, 2020

Call backend toolkits through decorators.

code cleanup

Status: Open.

#530 In openforcefield/openff-toolkit;

· jthorton opened on Feb 26, 2020

De-duplicate small molecules in repo

code cleanup

effort:medium

priority:medium

Status: Open.

#229 In openforcefield/openff-toolkit;

· j-wags opened on Apr 5, 2019

Implement highly serializable data classes (eg. using Pydantic)

code cleanup

effort:high

Status: Open.

#138 In openforcefield/openff-toolkit;

· j-wags opened on Nov 9, 2018