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Wenxian Shi

4 accepted papers

2024

Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates

ICML 2024poster

Enzymes are genetically encoded biocatalysts capable of accelerating chemical reactions. How can we automatically design functional enzymes? In this paper, we propose EnzyGen, an approach to learn a unified model to design enzymes across all functional families. Our key idea is to generate an enzyme…

2020

Dispersed Exponential Family Mixture VAEs for Interpretable Text Generation

ICML 2020poster

Deep generative models are commonly used for generating images and text. Interpretability of these models is one important pursuit, other than the generation quality. Variational auto-encoder (VAE) with Gaussian distribution as prior has been successfully applied in text generation, but it is hard t…