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Search results for reinforcement learning drug discovery

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6 search results found

Release ⭐ 232

Deep Reinforcement Learning for de-novo Drug Design

Reinvent4 ⭐ 150

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Chemgan Challenge ⭐ 112

Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.

De Novo Drug Design with RNNs and Transformers

Reinforced Genetic Algorithm ⭐ 46

Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm

Moldqn Pytorch ⭐ 40

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

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