Alternatives and similar repositories for SIMPLE-NN_v2

Users that are interested in SIMPLE-NN_v2 are comparing it to the libraries listed below

• BingqingCheng / cace
  ☆118Updated this week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated last week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 7 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 4 years ago
• ChengUCB / les
  ☆42Updated 2 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆82Updated last month
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• ACEsuit / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆52Updated 3 weeks ago
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆15Updated 3 weeks ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆56Updated last month
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆137Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• Shen-Group / E2GNN
  ☆24Updated last year
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆92Updated last week
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆29Updated 5 years ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆24Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆41Updated last week
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆60Updated 3 months ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆131Updated this week
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆41Updated 10 months ago
• materialyzeai / matpes
  A foundational potential energy dataset for materials
  ☆51Updated last week
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆94Updated 4 months ago
• ICAMS / python-ace
  ☆101Updated last year
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆32Updated this week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 3 weeks ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆41Updated last week
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆67Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago