Repositories list

• Prebiotic-Metabolism

  Public
  Python

  •0•0•0•0•Updated Dec 10, 2024Dec 10, 2024

• GraNNField

  Public
  existing state-of-the-art GNN models for energy and force prediction tasks, combined with MD calculator through LAMMPS

  Python

  •

  MIT License

  •0•6•0•0•Updated Sep 12, 2024Sep 12, 2024

• .github

  Public
  0•0•0•0•Updated Jun 3, 2024Jun 3, 2024

• pdos_gnn

  Public
  Graph Neural Network for Projected Density of States Prediction

  machine-learningmaterial-sciencegraph-neural-networks

  Python

  •

  MIT License

  •0•2•0•0•Updated Jan 8, 2024Jan 8, 2024

• Direct-Indirect-Model

  Public
  Python

  •1•0•0•0•Updated May 17, 2023May 17, 2023

• Voltage-Model

  Public
  Python

  •0•0•0•0•Updated Jan 1, 2023Jan 1, 2023