StrachanGroup

MultiTaskEM Public

Code and data for development of multi-task multi-fidelity neural networks for properties of energetic materials.

CG_GNNFF Public

Coarse grain graph neural network force field

PANStabilizationSimulator Public

OpenAI_LAMMPS Public

nanoHUB_examples Public

External files for nanoHUB tools

doped-llzo-dftmd Public

gst_nnp Public

Production directories for neural network potential (NNP) training, optimization, and analysis of GeSbTe alloys

nnrf_nitramines Public

CohPhaseFind Public