Published January 13, 2026 | Version v0.5.0
Software Open

OpenFF Interchange

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.topology not 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_scm by @mattwthompson in https://github.com/openforcefield/openff-interchange/pull/1387
  • Update description of target_density usage 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_openmm by @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 pixi by @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_array to ElectrostaticsCollection by @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

If you use Interchange, please cite it as below.

Files

openforcefield/openff-interchange-v0.5.0.zip

Files (1.7 MB)

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Additional details

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