8 citations · 9 across the 2 of their papers we have counts for
2 papers
cs.LG2026★ 1 cited
Protein Language Model Embeddings Improve Generalization of Implicit Transfer Operators
Panagiotis Antoniadis, Beatrice Pavesi, Simon Olsson +1
Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-d…
stat.ML2023★ 8 cited
Coherent energy and force uncertainty in deep learning force fields
Peter Bjørn Jørgensen, Jonas Busk, Ole Winther +1
In machine learning energy potentials for atomic systems, forces are commonly obtained as the negative derivative of the energy function with respect to atomic positions. To quanti…