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sciai-lab
/
boa
like
2
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SciAI Lab (Hamprecht Lab)
9
PyTorch
chemistry
electron-density
graph-neural-network
equivariant
dft
License:
lgpl-3.0
Model card
Files
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xet
Community
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main
boa
4.03 GB
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1 contributor
History:
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README.md
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benzene.ckpt
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ethane.ckpt
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ethanol.ckpt
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malonaldehyde.ckpt
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phenol.ckpt
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qm9_pyscf_large.ckpt
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qm9_pyscf_small.ckpt
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qm9_pyscf_small_small_cutoff.ckpt
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qm9_vasp_large.ckpt
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qm9_vasp_small.ckpt
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resorcinol.ckpt
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