Alternatives and similar repositories for SMACT

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

• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆130Updated last week
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆132Updated last week
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆102Updated 8 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆109Updated 3 years ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated this week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last month
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆117Updated 2 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆72Updated last week
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆182Updated 3 months ago
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆145Updated 4 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆134Updated last week
• JARVIS-Materials-Design / jarvis-tools-notebooks
  This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…
  ☆93Updated 7 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 7 months ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆77Updated 2 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆82Updated last month
• SUNCAT-Center / CatLearn
  A machine learning environment for atomic-scale modeling in surface science and catalysis.
  ☆117Updated last year
• 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
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆92Updated this week
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated last month
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆159Updated last year
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆61Updated 2 weeks ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆51Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆112Updated last week