research
∙
06/26/2023
Equivariant flow matching
Normalizing flows are a class of deep generative models that are especia...
share
research
∙
02/14/2023
Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics
Machine-learned coarse-grained (CG) models have the potential for simula...
research
∙
06/24/2021
Lettuce: PyTorch-based Lattice Boltzmann Framework
The lattice Boltzmann method (LBM) is an efficient simulation technique ...
research
∙
06/14/2021
Machine Learning Implicit Solvation for Molecular Dynamics
Accurate modeling of the solvent environment for biological molecules is...
research
∙
12/22/2020
TorchMD: A deep learning framework for molecular simulations
Molecular dynamics simulations provide a mechanistic description of mole...
research
∙
07/22/2020
