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Commits on Apr 24, 2026

• Patch for torchsim interface's change to extras fields (spin and charge no longer core fields) (#1960)

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  CompRhys

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  mshuaibii

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Commits on Apr 23, 2026

• [md] store additional properties + update tests (#1976)

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  mshuaibii

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• pip: bump ray from 2.55.0 to 2.55.1 (#1977)

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  dependabot[bot]

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• pip: bump huggingface-hub from 1.10.2 to 1.11.0 (#1978)

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Commits on Apr 22, 2026

• feat: add benchmark toolkit for comparing inference configs against f… (#1938)

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  misko

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Commits on Apr 21, 2026

• NPT support (#1972)

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  mshuaibii

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• odac build yamls (#1974)

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Commits on Apr 20, 2026

• Add Checkpointing to RelaxRunner (#1951)

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  lbluque

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Commits on Apr 19, 2026

• Add AllScAIP Model (#1851)

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Commits on Apr 18, 2026

• pip: bump huggingface-hub from 1.9.2 to 1.10.2 (#1966)

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Commits on Apr 17, 2026

• update tests per pymatgen update (#1969)

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  mshuaibii

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Commits on Apr 15, 2026

• gh-actions: bump actions/github-script from 8 to 9 (#1963)

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• pip: bump ray from 2.54.1 to 2.55.0 (#1965)

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Commits on Apr 10, 2026

• pip: bump jupyter-book from 2.1.2 to 2.1.4 (#1955)

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Commits on Apr 9, 2026

• pip: bump pymatgen from v2025.10.7 to 2026.3.23 (#1922)

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• pip: bump huggingface-hub from 1.8.0 to 1.9.2 (#1956)

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Commits on Apr 8, 2026

• remove regress_stress/forces and direct_forces properties (#1928)

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  lbluque

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Commits on Apr 7, 2026

• pip: bump jupyter-book from 2.1.1 to 2.1.2 (#1753)

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Commits on Apr 6, 2026

• satisfy oss requirements (#1950)

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  mshuaibii

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• gh-actions: bump codecov/codecov-action from 5 to 6 (#1942)

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• gh-actions: bump mamba-org/setup-micromamba from 2 to 3 (#1941)

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• pip: bump numba from 0.64.0 to 0.65.0 (#1944)

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Commits on Apr 3, 2026

• Allow merging homogeneous batch 1 (#1940)

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• pip: bump numpy from 2.4.2 to 2.4.4 (#1946)

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• pip: bump ray from 2.54.0 to 2.54.1 (#1943)

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Commits on Mar 31, 2026

• mitigate unsafe pickle deserialization (#1935)

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  mshuaibii

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Commits on Mar 30, 2026

• Add doc warning about hydra instantiation (#1936)

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  lbluque

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Commits on Mar 27, 2026

• fix paper links (#1927)

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Commits on Mar 26, 2026

• pip: bump huggingface-hub from 1.6.0 to 1.8.0 (#1923)

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• Regress model attrs patch (#1925)

  lbluque

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• Remote retain_graph from fairchem torchsim interface (#1924)

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  CompRhys

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• Expose seed argument in pretrained_mlip.get_predict_unit() to enable control over global random state (#1899)

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  Paul Zeiger

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Commits on Mar 25, 2026

• resolve small edge case bugs (#1920)

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  mshuaibii

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• pip: bump ase from 3.27.0 to 3.28.0 (#1912)

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• pip: bump huggingface-hub from 1.5.0 to 1.6.0 (#1888)

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