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GitHub - isayevlab/Auto3D_pkg: Auto3D generates low-energy conformers from SMILES/SDF

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Error when running tutorial · Issue #37 · isayevlab/Auto3D_pkg · GitHub

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Error on tautomer example · Issue #38 · isayevlab/Auto3D_pkg · GitHub

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I don't see a difference in energy for tautomers · Issue #22 · isayevlab/Auto3D_pkg · GitHub

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About Testing · Issue #8 · jiangyitong/AutoDIR · GitHub

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