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
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆129Updated 3 weeks ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated 3 weeks ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆61Updated 5 months ago
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆127Updated 3 weeks ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆110Updated 2 weeks ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆70Updated this week
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆65Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆99Updated 3 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• VASPsol / VASPsol
  ☆71Updated 7 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆125Updated last week
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆80Updated last year
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆98Updated 6 months ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆134Updated 2 months ago
• zhangylch / REANN
  ☆62Updated 11 months ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago