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coxeter: A Python package for working with shapes
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published Published about 1 year ago
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
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published Published over 1 year ago
nap: A molecular dynamics package with parameter-optimization programs for classical and machine-learning potentials
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GIMS: Graphical Interface for Materials Simulations
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cmstatr: An R Package for Statistical Analysis of Composite Material Data
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Chemiscope: interactive structure-property explorer for materials and molecules
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PyZFS: A Python package for first-principles calculations of zero-field splitting tensors
Python
published Published about 2 years ago