Alternatives and similar repositories for mlearn

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

• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆133Updated last week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆129Updated this week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated 3 weeks ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆100Updated 7 months ago
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆133Updated last week
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated this week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 6 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆127Updated this week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated 3 weeks ago
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆167Updated 2 weeks ago
• zhangylch / REANN
  ☆62Updated last year
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆80Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 years ago
• tobacco-mofs / tobacco_3.0
  ☆66Updated 4 years ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆75Updated 3 weeks ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆70Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆111Updated last week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆80Updated last month
• mogroupumd / aimd
  ☆45Updated 7 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆179Updated 3 months ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆77Updated last week