Alternatives and similar repositories for mff

Users that are interested in mff are comparing it to the libraries listed below

• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆68Updated 6 months ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆28Updated 4 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆45Updated 2 weeks ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated this week
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆65Updated this week
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆21Updated last year
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• BIG-MAP / graph2mat
  graph2mat: Graph to matrix conversion
  ☆18Updated 2 months ago
• sirmarcel / cmlkit
  tools for machine learning in condensed matter physics and quantum chemistry
  ☆33Updated 3 years ago
• fullmetalfelix / ML-CSC-tutorial
  ☆23Updated 2 years ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 7 months ago
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆28Updated 2 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last month
• lab-cosmo / nice
  ☆12Updated last year
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆68Updated last week
• ICAMS / lammps-user-pace
  ☆31Updated 2 weeks ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆50Updated last year
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆54Updated last month
• cagrikymk / JAX-ReaxFF
  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
  ☆72Updated last year
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• mariogeiger / nequip-jax
  ☆23Updated 2 years ago
• BingqingCheng / MLP-highP-H
  ☆17Updated 4 years ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated last year
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆21Updated 3 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆23Updated last year
• ICAMS / python-ace
  ☆100Updated last year
• ml-electron-project / NNfunctional
  ☆39Updated 6 years ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆24Updated 2 years ago
• ChengUCB / les
  ☆33Updated this week