Simon Olsson
Showing 29 publications
Generative flow-based warm start of the variational quantum eigensolver
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Thermodynamic Interpolation: A Generative Approach to Molecular Thermodynamics and Kinetics
SEMLAFLOW - Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching
Boltzmann priors for Implicit Transfer Operators
Compositional Flows for 3D Molecule and Synthesis Pathway Co-design
Characterizing Structural and Kinetic Ensembles of Intrinsically Disordered Proteins Using Writhe
Machine Learning in Molecular Dynamics Simulations of Biomolecular Systems
AI Tool for Exploring How Economic Activities Impact Local Ecosystems
Rescuing Off-Equilibrium Simulation Data through Dynamic Experimental Data with dynAMMo
Implicit Transfer Operator Learning: Multiple Time-Resolution Models for Molecular Dynamics
A novel strategy of structure-guided vaccine design to enhance the availability of immunogens
De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models
A litmus test for classifying recognition mechanisms of transiently binding proteins
Ecosystem Models Based on Artificial Intelligence
BIBAX: a novel structure-guided approach to improve vaccine safety and efficacy
Prediction of the Chemical Context for Buchwald-Hartwig Coupling Reactions
Markov State Models of Protein–Protein Encounters
Markov field models: Scaling molecular kinetics approaches to large molecular machines
Multi-body effects in a coarse-grained protein force field
Discovery of a hidden transient state in all bromodomain families
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