Alternatives and similar repositories for mff:

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

• 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…
  ☆27Updated 3 years ago
• mir-group / CiderPress2022
  Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations
  ☆9Updated 11 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated this week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆23Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆31Updated last year
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆50Updated 2 years ago
• sirmarcel / cmlkit
  tools for machine learning in condensed matter physics and quantum chemistry
  ☆34Updated 2 years ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆33Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• atomicarchitects / phonax
  ☆19Updated 11 months ago
• Linux-cpp-lisp / sitator
  Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
  ☆13Updated 4 years ago
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆54Updated 3 weeks ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆25Updated 9 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 6 months ago
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆15Updated 3 months ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆21Updated 6 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated last week
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆42Updated last week
• lab-cosmo / nice
  ☆12Updated 10 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆49Updated 9 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆36Updated last week
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆27Updated 7 months ago
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆63Updated 4 months ago
• lmhale99 / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆11Updated 5 months ago
• ICAMS / python-ace
  ☆74Updated 3 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆66Updated this week
• bartolsthoorn / SOAPY
  SOAP (Smooth Overlap of Atomic Positions) implementation with numpy
  ☆11Updated 6 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆39Updated 2 weeks ago
• ICAMS / lammps-user-pace
  ☆28Updated last month
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆14Updated 3 months ago