deepmodeling/deepmd-kit

多体ポテンシャルエネルギー表現と分子動力学のためのディープラーニングパッケージ

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Python

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LGPL-3.0

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2 日前

Python python cpp tensorflow nodejs deep-learning cuda c pytorch jax molecular-dynamics rocm materials-science computational-chemistry machine-learning-potential paddle ase deepmd ipi lammps potential-energy

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