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Commits on Apr 6, 2026

• [pre-commit.ci] pre-commit autoupdate (#436)

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Commits on Apr 1, 2026

• Support multi-residue molecules in template generator and improve performance (#430)

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Commits on Mar 27, 2026

• Bump mamba-org/setup-micromamba from 2 to 3 (#433)

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  dependabot[bot]

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Commits on Mar 26, 2026

• Bump codecov/codecov-action from 5 to 6 (#432)

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Commits on Mar 4, 2026

• Bump docker/login-action from 3 to 4 (#431)

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Commits on Mar 3, 2026

• SMIRNOFF: multiple force field files, virtual sites, and constraints (#423)

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Commits on Jan 6, 2026

• [pre-commit.ci] pre-commit autoupdate (#427)

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Commits on Dec 18, 2025

• Add changelog entry for 0.15.1 (#425)

  mikemhenry

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Commits on Nov 21, 2025

• Bump actions/checkout from 5 to 6 (#420)

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  dependabot[bot]

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Commits on Nov 18, 2025

• Remove ff19ipq (#419)

  epretti

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Commits on Nov 13, 2025

• Make default SMIRNOFF force field `openff-2.2.1` (#417)

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  epretti

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• Bump OpenMM versions in CI to include 8.4.0 (#418)

  epretti

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Commits on Nov 4, 2025

• Allow for any barostat in SystemGenerator (#414)

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  hannahbaumann

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Commits on Oct 14, 2025

• [pre-commit.ci] pre-commit autoupdate (#407)

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  epretti

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Commits on Oct 8, 2025

• Fix CI, update docstrings (#408)

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  mattwthompson

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Commits on Sep 8, 2025

• Add Lipid21 (#390)

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  epretti

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Commits on Aug 21, 2025

• Using stdlib importlib.resources instead (#403)

  ijpulidos

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Commits on Aug 11, 2025

• Bump actions/checkout from 4 to 5 (#402)

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Commits on Aug 7, 2025

• Release 0.15.0 (#401)

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  mikemhenry

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Commits on Aug 6, 2025

• Import DGL to create ~/.dgl/config.json before any tests run (#400)

  epretti

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• Fixes for issues and assorted cleanups to generators (#391)

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  epretti

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  mikemhenry

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• Merge pull request #397 from epretti/remove-dummysystemgenerator

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  epretti

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• Merge branch 'main' into remove-dummysystemgenerator

  mikemhenry

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• Fix espaloma model download race conditions (#398)

  epretti

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Commits on Aug 5, 2025

• Remove DummySystemGenerator

  epretti

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Commits on Aug 1, 2025

• Merge pull request #392 from openmm/feat/run-espaloma-tests

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  epretti

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Commits on Jul 30, 2025

• put env block up higher in job step so it is easier to see and also fix issue with it missing

  mikemhenry

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• need to also not use --runespaloma on python 3.13

  mikemhenry

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• skip espaloma tests on python 3.13 (might need to also remove --runespaloma in pytest call if we are on python 3.13 -- lets see what happens)

  mikemhenry

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Commits on Jul 28, 2025

• Merge branch 'main' into feat/run-espaloma-tests

  mikemhenry

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• drop python 3.10, add 3.13 and drop openmm 8.1.2 and test 8.3.1 (#394)

  mikemhenry

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Commits on Jul 25, 2025

• [pre-commit.ci] auto fixes from pre-commit.com hooks

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  pre-commit-ci[bot]

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• Run espaloma tests and refactor CMMotionRemover fix

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  mikemhenry

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• install espaloma

  mikemhenry

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Commits on Jul 15, 2025

• Update README to reflect default SMIRNOFF force field (#389)

  mattwthompson

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