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gschottlender
/

reverse_ligq

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Tags:

cheminformatics

virtual-screening

reverse-screening

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Dataset card Data Studio Files Files and versions

1.39 GB

1 contributor

History: 7 commits

gschottlender's picture

added dictionary of compounds with their respective smiles representations

85ff58b 5 months ago

.gitattributes

2.46 kB
initial commit 6 months ago
README.md

6.92 kB
Update README.md 6 months ago
comps_embs.npy

764 MB
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comps_fps.npy

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comps_smiles.pkl
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40.5 MB
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added dictionary of compounds with their respective smiles representations 5 months ago
fam_prot_dict.pkl
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1.26 MB
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id_to_idx.pkl
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9.95 MB
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idx_to_id.pkl
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7.6 MB
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ligand_lists.pkl
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39.1 MB
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ligs_fams_curated.pkl
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ligs_fams_possible.pkl
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9.15 MB
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prot_descriptions.pkl
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3.46 MB
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