Simon Olsson

According to our database, Simon Olsson authored at least 16 papers between 2013 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators.

Panagiotis Antoniadis, Beatrice Pavesi, Simon Olsson, Ole Winther

CoRR, February, 2026

2025

Consistent Projection of Langevin Dynamics: Preserving Thermodynamics and Kinetics in Coarse-Grained Models.

Vahid Nateghi, Lara Neureither, Selma Moqvist, Carsten Hartmann, Simon Olsson, Feliks Nüske

CoRR, December, 2025

HollowFlow: Efficient Sample Likelihood Evaluation using Hollow Message Passing.

Johann Flemming Gloy, Simon Olsson

CoRR, October, 2025

Minimum-Excess-Work Guidance.

Christopher Kolloff, Tobias Höppe, Emmanouil Angelis, Mathias Jacob Schreiner, Stefan Bauer, Andrea Dittadi, Simon Olsson

CoRR, May, 2025

FLOWR: Flow Matching for Structure-Aware De Novo, Interaction- and Fragment-Based Ligand Generation.

Julian Cremer, Ross Irwin, Alessandro Tibo, Jon Paul Janet, Simon Olsson, Djork-Arné Clevert

CoRR, April, 2025

Compositional Flows for 3D Molecule and Synthesis Pathway Co-design.

Tony Shen, Seonghwan Seo, Ross Irwin, Kieran Didi, Simon Olsson, Woo Youn Kim, Martin Ester

Proceedings of the Forty-second International Conference on Machine Learning, 2025

Boltzmann priors for Implicit Transfer Operators.

Juan Viguera Diez, Mathias Jacob Schreiner, Ola Engkvist, Simon Olsson

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

SemlaFlow - Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching.

Ross Irwin, Alessandro Tibo, Jon Paul Janet, Simon Olsson

Proceedings of the International Conference on Artificial Intelligence and Statistics, 2025

2024

Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics.

Juan Viguera Diez, Sara Romeo Atance, Ola Engkvist, Simon Olsson

Mach. Learn. Sci. Technol., 2024

Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport.

Ross Irwin, Alessandro Tibo, Jon Paul Janet, Simon Olsson

CoRR, 2024

2023

Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo.

Christopher Kolloff, Simon Olsson

Mach. Learn. Sci. Technol., December, 2023

Exploring local effects of economic activities using agent-based ecosystem models.

Claes Strannegård, Niklas Engsner, Rasmus Lindgren, Simon Olsson, John A. Endler

CoRR, 2023

Implicit Transfer Operator Learning: Multiple Time-Resolution Models for Molecular Dynamics.

Mathias Schreiner, Ole Winther, Simon Olsson

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

<i>De Novo</i> Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.

Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist, Simon Olsson, Rocío Mercado

J. Chem. Inf. Model., 2022

Ecosystem Models Based on Artificial Intelligence.

Claes Strannegård, Niklas Engsner, Jesper Eisfeldt, John A. Endler, Amanda Hansson, Rasmus Lindgren, Petter Mostad, Simon Olsson, Irene Perini, Heather Reese, Fulya Taylan, Simon Ulfsbäcker, Ann Nordgren

Proceedings of the Swedish Artificial Intelligence Society Workshop, 2022

2013

PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure.

Wouter Boomsma, Jes Frellsen, Tim Harder, Sandro Bottaro, Kristoffer E. Johansson, Pengfei Tian, Kasper Stovgaard, Christian Andreetta, Simon Olsson, Jan B. Valentin, Lubomir D. Antonov, Anders S. Christensen, Mikael Borg, Jan H. Jensen, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg, Thomas Hamelryck

J. Comput. Chem., 2013