SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
GNU General Public License v3.0
126
stars
15
forks
source link
docs: submitted to arXiv #23
Closed
YutackPark closed 9 months ago
Version up, 0.9.0 -> 0.9.1 Update document (citation, fine-tune, ...) We also include SevenNet-0.