#
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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Updated
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
-
Updated
Dec 9, 2021 - Python
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