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
  ☆80Updated last week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆81Updated this week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆47Updated 9 months ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆58Updated 2 weeks ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆52Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆79Updated last week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated last week
• materialsvirtuallab / matpes
  A foundational potential energy dataset for materials
  ☆37Updated 3 weeks ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆76Updated 3 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆49Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆29Updated last year
• MDIL-SNU / G-metaD
  Metadynamics code on the G-space.
  ☆14Updated 3 years ago
• BingqingCheng / ab-initio-thermodynamics-of-water
  “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti…
  ☆27Updated 5 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 3 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 4 months ago
• zhangylch / REANN
  ☆59Updated 6 months ago
• computron / pymatgen_tutorials
  Tutorials for using the pymatgen library
  ☆50Updated last month
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆29Updated 2 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆90Updated last year
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆45Updated 3 weeks ago
• libAtoms / GAP
  ☆42Updated 2 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆45Updated last week
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆23Updated 2 years ago
• ICAMS / python-ace
  ☆86Updated 7 months ago
• BingqingCheng / LES-BEC
  ☆10Updated last week