/tools/De-Novo-Drug-Design
De-Novo-Drug-Design
larngroup/De-Novo-Drug-Design
14 stars9 forksPythonAdded February 8, 2026
summary
De-Novo-Drug-Design is a tool that utilizes Deep Reinforcement Learning to optimize the permeation of drugs across the blood-brain barrier. It aims to facilitate the design of new drug candidates by improving their molecular properties.
description
Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design
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