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isayevlab / Auto3D_pkg Public

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Pull requests: isayevlab/Auto3D_pkg

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Pull requests list

parallel opt_geometry more tunable parameters

#89 opened Mar 16, 2025 by zhen-insitro

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No RMSD calculations for k=1

#85 opened Aug 22, 2024 by OphirKa

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add userNNP option to allow the use of other NNP

#80 opened Jul 1, 2024 by plin1112

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