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

cheminformatics denovo-design differentiable drug-design drug-discovery graph-neural-networks molecule molecule-design molecule-gene molecule-generation

Creat：2021-06-08T02:57:28

Update：2025-02-17T10:47:52

https://openreview.net/forum?id=w_drCosT76&referrer=%5BAuthor%20Console%5D(%2Fgroup%3Fid%3DICLR.cc%2F2022%2FConference%2FAuthors%23your-submissions)

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