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Datasets:
RosettaCommons
/
NCI_Open_Compounds

Languages:
English
Size:
100K<n<1M
Tags:
chemistry
biology
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Files changed (7) hide show
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  2. structures/._nci_batches_10k.tar.gz +3 -0
  3. structures/NCI_2D_Structures_20251230.zip +2 -2
  4. structures/mol2_nci_Jan_2026.tar.gz +2 -2
  5. structures/nci_batches_10k.tar.gz +2 -2
  6. structures/rejected/invalid_atoms.tar.gz +3 -0
  7. structures/rejected/vina_rejects.tar.gz +3 -0
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