research
∙
12/14/2022
Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
A generalized understanding of protein dynamics is an unsolved scientifi...
share
research
∙
01/20/2022
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
Parametric and non-parametric machine learning potentials have emerged r...
research
∙
12/22/2020
TorchMD: A deep learning framework for molecular simulations
Molecular dynamics simulations provide a mechanistic description of mole...
research
∙
10/29/2017