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1 parent 938752f commit 55fffefCopy full SHA for 55fffef
pyproject.toml
@@ -123,6 +123,7 @@ strict-openff = [
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"monty==2025.3.3",
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#"openmm-mdanalysis-reporter==0.1.0",
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"mdareporter @ git+https://github.com/sef43/openmm-mdanalysis-reporter.git@86e8bdffb63bbe9b13430ba97e2a67b85c996048",
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+ "h5py==3.13",
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"openmm==8.1.1",
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"pymatgen==2024.11.13", # TODO: open ff is extremely sensitive to pymatgen version
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"mdanalysis==2.9.0"
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