Generating Deep Potential with Python
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Oct 31, 2024 - Python
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machine-learning-interatomic-potential
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LCAONet - MPNN including electronic structure and orbital information, physically motivatied by the LCAO method.
machine-learning
deep-learning
pytorch
materials-informatics
graph-neural-networks
graph-convolutional-neural-networks
machine-learning-interatomic-potential
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Updated
Nov 8, 2023 - Python
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