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polymorph
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Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
python machine-learning dft analysis crystallography generation polymorphism molecular rmsd polymorph molecular-crystals crystals
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May 30, 2022 - Python
Library and utilities for training volume estimation models with PyMoVE.
python machine-learning dft analysis protein marching-cubes molecular molecules polymorph solvent-accessible-surface-area molecular-crystals crystals
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Dec 9, 2021 - Python
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Dec 15, 2024 - JavaScript
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