Benchmarking ML for MD simulation

Molecular dynamics simulation with machine learning force fields.

Github: https://github.com/kyonofx/mdsim

🗒 Paper: https://arxiv.org/abs/2210.07237v1

Guide: https://github.com/kyonofx/mdsim#install-other-dependencies

Dataset: https://paperswithcode.com/dataset/md17

👉 @bigdata_1