Rafael Gomez-Bombarelli
5 papers · 2021–2025 · 2 venues · across top CS/AI venues
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Achievements
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Conference Polyglot · Bronze
🌉
Interdisciplinary Bridge · Silver
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Taxonomy Completionist
(10)
Top co-authors
Research topics
Keywords
generative model
(2)
molecular dynamics
(2)
variational autoencoder
(1)
molecular graph
(1)
latent space
(1)
discrete diffusion
(1)
differentiable simulation
(1)
equivariant neural network
(1)
protein structure
(1)
bilevel programming
(1)
rare event
(1)
distance geometry
(1)
structural constraint
(1)
equivariant convolution
(1)
equivariant network
(1)
internal coordinate
(1)
molecular conformation
(1)
path integral
(1)
coarse-grained simulation
(1)
equivariant encoder
(1)
Papers
Think while You Generate: Discrete Diffusion with Planned Denoising
ICLR 2025
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
ICML 2023
Differentiable Simulations for Enhanced Sampling of Rare Events
ICML 2023
Generative Coarse-Graining of Molecular Conformations
ICML 2022
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming
ICML 2021