MaterialsAtlas Code

TorchMD-Net

neural-potentialmolecular-dynamicsatomisticpytorchopen-source-code
Visit resource Open in MaterialsAtlas Back to code resources

Training framework for neural network potentials in molecular and materials simulations.

Citation: torchmd/torchmd-net. Open-source code repository. https://github.com/torchmd/torchmd-net

Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.

TypeCode
DomainMachine-learning interatomic potentials
LicenseMIT
Contributorstorchmd