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OneScience-Group
/
NequIP
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OneScience-Group/FCC_Cu
English
OneScience
NequIP
machine-learning-potential
molecular-simulation
materials-computing
graph-neural-network
equivariant-neural-network
training
fine-tuning
inference
License:
apache-2.0
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__init__.py
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_ghost_exchange_base.py
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_ghost_exchange_lmp_mliap.py
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_graph_mixin.py
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_tp_scatter_base.py
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_tp_scatter_oeq.py
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atomwise.py
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compile.py
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convnetlayer.py
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graph_model.py
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misc.py
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mlp.py
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model_modifier_utils.py
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nonlinearities.py
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norm.py
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pair_potential.py
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utils.py
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