nodematerial/MD-GNN

Implementation for "Prediction of potential energy profiles of molecular dynamic simulation by graph convolutional networks"

GitHub repository with 6 stars and 0 forks.

Language: Python

Topics: atomistic-simulations, computational-physics, deep-learning, gcn, gnn, graph-neural-networks, lammps, machine-learning, materials-informatics, materials-science

Open provider repository

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2026-11-02: 6 stars and 0 forks.

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