Alternatives and similar repositories for s4:

Users that are interested in s4 are comparing it to the libraries listed below

• lrcfmd / ICSDClient
  A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…
  ☆17Updated 2 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆33Updated 3 months ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 8 months ago
• CJBartel / TestStabilityML
  ☆27Updated last year
• ulissigroup / vasp-interactive
  ☆64Updated last year
• CederGroupHub / SynthesisSimilarity
  ☆27Updated last year
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆45Updated 3 weeks ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆84Updated this week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆34Updated this week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆45Updated this week
• antoniuk1 / SynthNN
  ☆16Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated last year
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆17Updated last month
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆53Updated 2 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆45Updated this week
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated last year
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆25Updated 2 months ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆40Updated 2 months ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆69Updated 3 months ago
• yuanyue-liu-group / CP-VASP
  ☆34Updated 4 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆33Updated last year
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆26Updated last year
• CJBartel / predict-gibbs-energies
  ☆20Updated 4 years ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 4 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆60Updated last year
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆23Updated last year
• mannodiarun / mrs_spring_tutorial
  This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.
  ☆12Updated 7 months ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆38Updated last week