Rafael Gomez-Bombarelli
5 papers · 2021–2025 · 2 conferences · across top CS/AI conferences
Achievements
Jump to papers ↓
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Interdisciplinary Bridge
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Keyword Pioneer
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Conference Polyglot
(2)
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Cross-Pollinator
(13)
Conferences
ICML (4)
ICLR (1)
Top co-authors
Keywords
molecular dynamics
(2)
generative model
(2)
molecular graph
(1)
latent space
(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)
enhanced sampling
(1)
collective variable
(1)
Papers
Think while You Generate: Discrete Diffusion with Planned Denoising
ICLR 2025
Differentiable Simulations for Enhanced Sampling of Rare Events
ICML 2023
Chemically Transferable Generative Backmapping of Coarse-Grained Proteins
ICML 2023
Generative Coarse-Graining of Molecular Conformations
ICML 2022
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming
ICML 2021