output
20192024
most citedTorchMD: A deep learning framework for molecular simulations

239 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing cs.LGShow all

1 paper · 1 filter

cs.LG2024★ 58 cited

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

Raul P. Pelaez, Guillem Simeon, Raimondas Galvelis +6

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents subs…