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OneScience-Group
/
eSEN
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OneScience
10
OneScience-Group/oxides
English
OneScience
eSEN
materials-science
machine-learning-potential
equivariant-graph-neural-network
structure-relaxation
molecular-dynamics
fine-tuning
License:
mit
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eSEN
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README.md
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configuration.json
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evaluate.py
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finetune.py
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md.py
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prepare_oxide_dataset.py
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relax.py
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single_point.py
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