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.
  ☆127Updated this week
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆109Updated 3 years ago
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆133Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆100Updated 7 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆133Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated 3 weeks ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 6 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated this week
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• 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  This repository is no longer maintained.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 6 months ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated this week
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated 3 weeks 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
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆61Updated this week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆80Updated last month
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆111Updated last week
• MaterialsDiscovery / PyChemia
  Python Materials Discovery Framework
  ☆75Updated last year
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last week
• biklooost / PROPhet
  PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
  ☆65Updated 7 years ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆98Updated 3 weeks ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 4 years 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
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆91Updated last week
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆108Updated last week