/tools/PSICHIC
PSICHIC
huankoh/PSICHIC
126 stars21 forksJupyter NotebookAdded February 8, 2026
summary
PSICHIC is a physicochemical graph neural network designed to learn protein-ligand interaction fingerprints from sequence data. It enables quick virtual screening and deep analysis of molecular interactions, making it a valuable tool for drug discovery.
description
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
topics
binding-affinitydrugdiscoveryfunctional-effectsprotein-ligand-interactions
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