Published January 13, 2026
| Version v0.5.0
Software
Open
OpenFF Interchange
Authors/Creators
- 1. Vanderbilt University
Description
What's Changed
- Update Packmol defaults by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1332
- Fix release history by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1373
- Exclude data files from conda/Python packages by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1329
- Bump actions/checkout from 5 to 6 by @dependabot[bot] in https://github.com/openforcefield/openff-interchange/pull/1374
- Make
Interchange.topologynot store positions by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1376 - Fix virtual site key equality definition by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1378
- Update beta workflow by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1381
- Use angstroms in docstrings packing functions by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1383
- Add serialization section to user guide by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1371
- Switch to
setuptools_scmby @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1387 - Update description of
target_densityusage in release notes by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1388 - Fix charge ordering in Amber files by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1396
- Update for Mypy 1.19 by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1397
- Update examples workflow by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1400
- Handle missing positions in
Interchange.from_openmmby @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1391 - Fix NumPy 2.4 incompatibility by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1404
- Migrate project to
pixiby @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1093 - Upstream #1405 by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1406
- Move
get_charge_arraytoElectrostaticsCollectionby @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1407 - Make 0.5.0 release notes by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1408
Full Changelog: https://github.com/openforcefield/openff-interchange/compare/v0.4.9...v0.5.0
Notes
Files
openforcefield/openff-interchange-v0.5.0.zip
Files
(1.7 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:4c7e1ec8e63f65681a15a31235d49851
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1.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/openforcefield/openff-interchange/tree/v0.5.0 (URL)
Software
- Repository URL
- https://github.com/openforcefield/openff-interchange