Tristan Bereau

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Split-Flows: Measure Transport and Information Loss Across Molecular Resolutions.
CoRR
Sander Hummerich, Tristan Bereau, Ullrich Köthe
2024 J jnl
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.
J. Chem. Inf. Model.
Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C. Wade, Ariane Nunes-Alves, Thereza A. Soares, Kenneth M. Merz Jr.
2024 J jnl
Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations.
J. Chem. Inf. Model.
Tristan Bereau, Luis J. Walter, Joseph F. Rudzinski
2024 J jnl
Neural Thermodynamic Integration: Free Energies from Energy-based Diffusion Models.
CoRR
Bálint Máté, François Fleuret, Tristan Bereau
2024 J jnl
Solvation Free Energies from Neural Thermodynamic Integration.
CoRR
Bálint Máté, François Fleuret, Tristan Bereau
2020 J jnl
Adversarial reverse mapping of equilibrated condensed-phase molecular structures.
Mach. Learn. Sci. Technol.
Marc Stieffenhofer, Michael Wand, Tristan Bereau
2020 J jnl
Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders.
Mach. Learn. Sci. Technol.
Yasemin Bozkurt Varolgunes, Tristan Bereau, Joseph F. Rudzinski
2019 J jnl
Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders.
CoRR
Yasemin Bozkurt Varolgunes, Tristan Bereau, Joseph F. Rudzinski
2018 J jnl
The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions.
Comput.
Joseph F. Rudzinski, Tristan Bereau
2013 J jnl
Deriving Static Atomic Multipoles from the Electrostatic Potential.
J. Chem. Inf. Model.
Christian Kramer, Tristan Bereau, Alexander Spinn, Klaus R. Liedl, Peter Gedeck, Markus Meuwly
2009 J jnl
Optimized convergence for multiple histogram analysis.
J. Comput. Phys.
Tristan Bereau, Robert H. Swendsen