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chembl_processed

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Bokwai commited on Jul 11, 2025

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8107419

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.gitattributes +3 -0
chembl35_assay2_filtered_ligsim_druglike.csv +3 -0
chembl_uniprot_mapping.txt +0 -0
dict_mol.txt +30 -0
dict_pkt.txt +9 -0
excluded/excluded_DUDE_PDB_30_uniprot.id +0 -0
excluded/excluded_DUDE_PDB_60_uniprot.id +8906 -0
excluded/excluded_DUDE_PDB_90_uniprot.id +3326 -0
excluded/excluded_DUDE_PDB_hmm_uniprot.id +0 -0
excluded/pdb_uniprot_cache_30.pkl +3 -0
excluded/pdb_uniprot_cache_60.pkl +3 -0
excluded/pdb_uniprot_cache_90.pkl +3 -0
excluded/pdb_uniprot_cache_hmm.pkl +3 -0
train.lmdb +3 -0
valid.lmdb +3 -0

.gitattributes CHANGED Viewed

@@ -57,3 +57,6 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 # Video files - compressed
 *.mp4 filter=lfs diff=lfs merge=lfs -text
 *.webm filter=lfs diff=lfs merge=lfs -text

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 *.mp4 filter=lfs diff=lfs merge=lfs -text
 *.webm filter=lfs diff=lfs merge=lfs -text
+chembl35_assay2_filtered_ligsim_druglike.csv filter=lfs diff=lfs merge=lfs -text
+train.lmdb filter=lfs diff=lfs merge=lfs -text
+valid.lmdb filter=lfs diff=lfs merge=lfs -text

chembl35_assay2_filtered_ligsim_druglike.csv ADDED Viewed

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chembl_uniprot_mapping.txt ADDED Viewed

The diff for this file is too large to render. See raw diff

dict_mol.txt ADDED Viewed

	@@ -0,0 +1,30 @@

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dict_pkt.txt ADDED Viewed

	@@ -0,0 +1,9 @@

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excluded/excluded_DUDE_PDB_30_uniprot.id ADDED Viewed

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