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https://github.com/minkaixu/confvae-icml21

An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
https://github.com/minkaixu/confvae-icml21

bilevel-optimization computational-biology computational-chemistry conformation generative-models graph-neural-networks icml-2021 molecule pytorch vae

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An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)

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