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Stephan Thaler

4PUBLICATIONS
10CO-AUTHORS
Bioinformatic methods developmentOptimisationComputational chemistryNanoelectromechanical systems
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Journal

Publications (4)

Sort by Publication Date:
|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

Frequent Collaborators

3 joint publications

Julija Zavadlav

1 joint publications

Maximilian Stupp

1 joint publications

Gregor Doehner

1 joint publications

Gabriele Corso

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