Figure 1: Weighted ensemble benchmarking framework
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
Figure 1: Weighted ensemble benchmarking framework
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
Abstract
Published in The Journal of Physical Chemistry B, our molecular dynamics benchmark enables reproducible comparisons across nine proteins using weighted ensemble sampling.
Type
Publication
The Journal of Physical Chemistry B, 129(50), 12828–12840
Figure 1: Weighted ensemble benchmarking framework. Source paper, page 5.