Repositories list

• FitSNAP

  Public
  Software for generating machine-learning interatomic potentials for LAMMPS

  Python

  •

  GNU General Public License v2.0

  •58•158•14•9•Updated Dec 2, 2024Dec 2, 2024

• structure-generation

  Public
  Generalized Structure Representation Through Local Atomic Descriptors

  Python

  •

  GNU General Public License v3.0

  •1•0•0•0•Updated Nov 15, 2024Nov 15, 2024

• workflow-workups

  Public
  Collaborative repo for testing early-stage workflow ideas for FitSNAP/fitting MLIAPs.

  Python

  •0•0•0•0•Updated Nov 29, 2023Nov 29, 2023

• fitsnap.github.io

  Public
  Software and information related to SNAP and FitSNAP

  HTML

  •1•2•0•0•Updated Sep 8, 2023Sep 8, 2023

• active-learning

  Public
  FitSnap scripts for active learning workflows.

  Python

  •1•2•0•0•Updated Sep 8, 2023Sep 8, 2023

• TestSNAP

  Public
  SNAP Proxy app

  C

  •

  Other

  •5•5•1•0•Updated Aug 15, 2023Aug 15, 2023

• benchmarks

  Public
  Benchmarks for SNAP, ACE, and other ML potentials

  Gnuplot

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jul 6, 2023Jul 6, 2023

• fitsnap-datasets

  Public
  Repo for housing training sets

  AMPL

  •3•0•0•0•Updated Apr 19, 2023Apr 19, 2023

• entropy-set

  Public
  1•0•0•0•Updated Jan 12, 2023Jan 12, 2023

• joss-paper

  Public
  TeX

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Nov 30, 2022Nov 30, 2022

• fitsnap-examples

  Public
  FitSNAP examples for creating and using potentials

  GNU General Public License v2.0

  •1•0•0•0•Updated Nov 3, 2022Nov 3, 2022

• lammps

  Public
  Public development project of the LAMMPS MD software package

  C++

  •

  GNU General Public License v2.0

  •1.7k•0•0•0•Updated Jan 20, 2022Jan 20, 2022