Stephan Thaler
4PUBLICATIONS
10CO-AUTHORS
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Publications (4)
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|Jul 16, 2025
Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction.Saro Passaro, Gabriele Corso, Jeremy Wohlwend
|Apr 04, 2023
Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls.Stephan Thaler, Gregor Doehner, Julija Zavadlav
|Dec 31, 2022
Deep coarse-grained potentials via relative entropy minimization.Stephan Thaler, Maximilian Stupp, Julija Zavadlav
|Nov 26, 2021
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting.Stephan Thaler, Julija Zavadlav
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Frequent Collaborators
3 joint publications
Julija Zavadlav
1 joint publications
Maximilian Stupp
1 joint publications
Gregor Doehner
1 joint publications
Gabriele Corso
1 joint publications
Jeremy Wohlwend
1 joint publications
Mateo Reveiz
1 joint publications
Tally Portnoi
1 joint publications
Hannes Stark
1 joint publications
Dominique Beaini
1 joint publications
Tommi Jaakkola
