Pinned Repositories
VASP-script
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpdata
A Python package for manipulating atomistic data of software in computational science
dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
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