deepmodeling/deepmd-kit

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

GitHub repository with 1,955 stars and 619 forks.

Language: Python

Topics: ase, c, computational-chemistry, cpp, cuda, deep-learning, deepmd, ipi, jax, lammps

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2026-06-05: 1,955 stars and 619 forks.

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