momeara / DeepSEA

Similarity Ensemble Approach with deep learning substance fingerprints
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DeepSEA

A package for computing the similarity between proteins based on their ligand binding activity. DeepSEA is based on the Similarity Ensemble Approach (SEA), where the representation for ligands is learned using deep neural nets similar to the neural-fingerprint approach. DeepSEA is implemented in the tensorflow framework.