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Projects in Awesome Lists by isayev

A curated list of projects in awesome lists by isayev .

https://github.com/isayev/ReLeaSE

Deep Reinforcement Learning for de-novo Drug Design

cheminformatics deeplearning drug-discovery molecular-modeling qsar reinforcement-learning

Last synced: 02 Aug 2024

https://github.com/isayev/ASE_ANI

ANI-1 neural net potential with python interface (ASE)

cheminformatics chemistry deep-learning force-field neural-network schrodinger-equation

Last synced: 02 Aug 2024