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Datasets:
erwallace
/
LigBoundConf2.0
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Modalities:
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Size:
1K - 10K
ArXiv:
arxiv:
2503.13352
Libraries:
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Dask
Croissant
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LigBoundConf2.0
1 contributor
History:
6 commits
erwallace
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README.md
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SMILES.csv
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ligboundconf_2_crest_local_min.sdf
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ligboundconf_2_molecules_and_energies.parquet
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ligboundconf_2_raw.sdf
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ligboundconf_2_xtb_global_min.sdf
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strain_releif_output_mace_from_ligboundconf_xtb.parquet
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