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adamlaho
/
MolCryst
like
0
mace
machine-learning-potential
molecular-dynamics
crystal-polymorphism
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mit
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MolCryst
/
datasets
1.24 GB
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50 commits
adamlaho
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acridine_train.h5
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acridine_valid.h5
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benzac_train.h5
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benzac_valid.h5
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bzamid_train.h5
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bzamid_valid.h5
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coumar_train.h5
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coumar_valid.h5
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durene_train.h5
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durene_valid.h5
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ehowih_train.h5
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ehowih_valid.h5
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nicoac_train.h5
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nicoac_valid.h5
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nicoam_train.h5
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nicoam_valid.h5
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pyrizin_train.h5
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pyrizin_valid.h5
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resora_train.h5
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resora_valid.h5
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