Beast code in Giters

jameswind's repositories

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Language:C++LGPL-3.0010

A deep learning package for many-body potential energy representation and molecular dynamics

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Manipulating DeePMD-kit, VASP, LAMMPS data formats.

Language:PythonLGPL-3.0010

The deep potential generator

Language:PythonLGPL-3.0010

Pytorch implement of the paper Neural Canonical Transformation with Symplectic Flows

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