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Tools
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DeepPurpose — Vecura
DeepPurpose
A PyTorch deep-learning toolkit for drug-target interaction, molecular property, drug-drug interaction, protein-protein interaction, and protein function prediction from SMILES and amino-acid sequences.
Input
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
0 residues
Results
Configure input settings on the left, then click "Run"
