/tools/DrugFlow

DrugFlow

LPDI-EPFL/DrugFlow

139 stars24 forksPythonWebsiteAdded February 8, 2026
summary

DrugFlow is a generative model designed for structure-based drug design, integrating advanced techniques to learn chemical and physical properties from protein-ligand data. It allows for the generation of novel molecules tailored to specific protein targets, enhancing the drug discovery process.

description

Multi-domain Distribution Learning for De Novo Drug Design

topics

drug-designequivariancegenerative-modelprotein-flexibility

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