existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
forked from Voznyy-Clean-Energy-Lab-UToronto/GraNNField
-
Notifications
You must be signed in to change notification settings - Fork 0
123M15/GraNNField
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Latest commit | ||||
Repository files navigation
About
existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Languages
- Python 98.9%
- Jupyter Notebook 1.1%