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Search results for drug discovery denovo design

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6 search results found

Reinvent4 ⭐ 150

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

Deep Drug Coder ⭐ 75

A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.

Awesome Denovo Papers ⭐ 53

Awesome De novo drugs design papers

Official implementation of DrugGEN

(differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)

MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')

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Reinforcement Learning Denovo Design (4)

1-6 of 6 search results

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