Repositories list

• OpenAI_LAMMPS

  Public
  Jupyter Notebook

  •0•1•0•0•Updated Feb 13, 2025Feb 13, 2025

• MultiTaskEM

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

  Python

  •

  Other

  •0•0•0•0•Updated Aug 19, 2024Aug 19, 2024

• CG_GNNFF

  Public
  Coarse grain graph neural network force field

  Python

  •0•0•0•0•Updated Jul 14, 2024Jul 14, 2024

• PANStabilizationSimulator

  Public
  Python

  •0•0•0•0•Updated May 14, 2024May 14, 2024

• nanoHUB_examples

  Public
  External files for nanoHUB tools

  0•0•0•0•Updated Jun 27, 2023Jun 27, 2023

• doped-llzo-dftmd

  Public
  Python

  •0•0•0•0•Updated May 4, 2023May 4, 2023

• gst_nnp

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

  C++

  •0•0•0•0•Updated Dec 9, 2022Dec 9, 2022

• nnrf_nitramines

  Public
  Python

  •0•0•0•0•Updated Jul 15, 2021Jul 15, 2021

• CohPhaseFind

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Feb 4, 2021Feb 4, 2021