Alternatives and similar repositories for periodic_trends

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

• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last month
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆127Updated last week
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆91Updated 2 weeks ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆81Updated last year
• materialyzeai / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆133Updated 2 weeks ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• materialyzeai / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆109Updated 3 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆100Updated 8 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated last week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated last week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆133Updated last week
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated last week
• WMD-group / SMACT
  Python package to aid materials design and informatics
  ☆129Updated this week
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆77Updated last week
• 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
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆158Updated 2 months ago
• SUNCAT-Center / CatLearn
  A machine learning environment for atomic-scale modeling in surface science and catalysis.
  ☆116Updated last year
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆126Updated last month
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆72Updated 8 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆44Updated 4 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆111Updated 2 weeks ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆61Updated last week