Published November 20, 2025 | Version 1.0.0
Software Open

alchemistry/alchemtest: 1.0.0

Authors/Creators

  • 1. Arizona State University
  • 2. University of Trieste
  • 3. Datryllic LLC
  • 4. @openforcefield @omsf
  • 5. CNRS
  • 6. @dx-tx
  • 7. Schrodinger
  • 8. @implydata

Description

Stable and mature 1.0.0 release of alchemtest. Don't expect major changes in the future.

What's Changed

  • Lammps by @jaclark5 in https://github.com/alchemistry/alchemtest/pull/96
  • prepare for 1.0.0 release by @orbeckst in https://github.com/alchemistry/alchemtest/pull/97
  • refactored deployment workflow by @orbeckst in https://github.com/alchemistry/alchemtest/pull/101
  • Update link to NIST data by @jaclark5 in https://github.com/alchemistry/alchemtest/pull/104

New Contributors

  • @jaclark5 made their first contribution in https://github.com/alchemistry/alchemtest/pull/96

Full Changelog: https://github.com/alchemistry/alchemtest/compare/0.10.0...1.0.0

Files

alchemistry/alchemtest-1.0.0.zip

Files (121.5 MB)

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md5:b9df764b4ead3911377ee5222c2b1c57
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Additional details

Related works

Is supplement to
Software: https://github.com/alchemistry/alchemtest/tree/1.0.0 (URL)

Software

Repository URL
https://github.com/alchemistry/alchemtest