Vignesh Ram Somnath

17 papers A* 3A 3Journal 11
YearRankTypeTitle / Venue / Authors
2025 A* conf
Composing Unbalanced Flows for Flexible Docking and Relaxation.
ICLR
Gabriele Corso, Vignesh Ram Somnath, Noah Getz, Regina Barzilay, Tommi S. Jaakkola, Andreas Krause
2025 J jnl
SynCoGen: Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling.
CoRR
Andrei Rekesh, Miruna T. Cretu, Dmytro Shevchuk, Vignesh Ram Somnath, Pietro Liò, Robert A. Batey, Mike Tyers, Michal Koziarski, Cheng-Hao Liu
2024 J jnl
3DReact: Geometric Deep Learning for Chemical Reactions.
J. Chem. Inf. Model.
Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Rubén Laplaza, Andreas Krause, Clémence Corminboeuf
2023 A conf
Aligned Diffusion Schrödinger Bridges.
UAI
Vignesh Ram Somnath, Matteo Pariset, Ya-Ping Hsieh, María Rodríguez Martínez, Andreas Krause, Charlotte Bunne
2023 J jnl
Aligned Diffusion Schrödinger Bridges.
CoRR
Vignesh Ram Somnath, Matteo Pariset, Ya-Ping Hsieh, María Rodríguez Martínez, Andreas Krause, Charlotte Bunne
2023 A conf
BaCaDI: Bayesian Causal Discovery with Unknown Interventions.
AISTATS
Alexander Hägele, Jonas Rothfuss, Lars Lorch, Vignesh Ram Somnath, Bernhard Schölkopf, Andreas Krause
2023 J jnl
DockGame: Cooperative Games for Multimeric Rigid Protein Docking.
CoRR
Vignesh Ram Somnath, Pier Giuseppe Sessa, María Rodríguez Martínez, Andreas Krause
2023 J jnl
EquiReact: An equivariant neural network for chemical reactions.
CoRR
Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Rubén Laplaza, Andreas Krause, Clémence Corminboeuf
2023 A conf
Isotropic Gaussian Processes on Finite Spaces of Graphs.
AISTATS
Viacheslav Borovitskiy, Mohammad Reza Karimi, Vignesh Ram Somnath, Andreas Krause
2022 J jnl
BaCaDI: Bayesian Causal Discovery with Unknown Interventions.
CoRR
Alexander Hägele, Jonas Rothfuss, Lars Lorch, Vignesh Ram Somnath, Bernhard Schölkopf, Andreas Krause
2022 J jnl
Isotropic Gaussian Processes on Finite Spaces of Graphs.
CoRR
Viacheslav Borovitskiy, Mohammad Reza Karimi, Vignesh Ram Somnath, Andreas Krause
2022 J jnl
Multi-Scale Representation Learning on Proteins.
CoRR
Vignesh Ram Somnath, Charlotte Bunne, Andreas Krause
2021 A* conf
Learning Graph Models for Retrosynthesis Prediction.
NeurIPS
Vignesh Ram Somnath, Charlotte Bunne, Connor W. Coley, Andreas Krause, Regina Barzilay
2021 J jnl
Mixture-of-Experts Variational Autoencoder for clustering and generating from similarity-based representations on single cell data.
PLoS Comput. Biol.
Andreas Kopf, Vincent Fortuin, Vignesh Ram Somnath, Manfred Claassen
2021 A* conf
Multi-Scale Representation Learning on Proteins.
NeurIPS
Vignesh Ram Somnath, Charlotte Bunne, Andreas Krause
2020 J jnl
Learning Graph Models for Template-Free Retrosynthesis.
CoRR
Vignesh Ram Somnath, Charlotte Bunne, Connor W. Coley, Andreas Krause, Regina Barzilay
2019 J jnl
Mixture-of-Experts Variational Autoencoder for clustering and generating from similarity-based representations.
CoRR
Andreas Kopf, Vincent Fortuin, Vignesh Ram Somnath, Manfred Claassen