Search Results for author: Zichao Yan

Found 3 papers, 1 papers with code

Towards equilibrium molecular conformation generation with GFlowNets

no code implementations20 Oct 2023 Alexandra Volokhova, Michał Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua Bengio

Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule.

PhyloGFN: Phylogenetic inference with generative flow networks

1 code implementation12 Oct 2023 Mingyang Zhou, Zichao Yan, Elliot Layne, Nikolay Malkin, Dinghuai Zhang, Moksh Jain, Mathieu Blanchette, Yoshua Bengio

Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities.

Variational Inference

Neural representation and generation for RNA secondary structures

no code implementations ICLR 2021 Zichao Yan, William L. Hamilton, Mathieu Blanchette

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions.

Drug Discovery Inductive Bias +1

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