Alternatives and similar repositories for veidt:

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

• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆33Updated 6 months ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆21Updated 2 years ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆33Updated 2 years ago
• MDIL-SNU / AMP2
  ☆20Updated last year
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• ncfrey / pytopomat
  Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
  ☆28Updated 3 years ago
• lab-cosmo / SA-GPR
  ☆21Updated 5 years ago
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆15Updated 3 weeks ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆23Updated 4 years ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆42Updated this week
• CJBartel / TestStabilityML
  ☆27Updated last year
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆34Updated 4 years ago
• potfit / potfit
  potfit force-matching code
  ☆34Updated 11 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆63Updated last week
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆56Updated last year
• DallasTrinkle / Onsager
  Onsager coefficients for interstitial and vacancy-mediated diffusion
  ☆11Updated this week
• blondegeek / ferroelectric_search_site
  ☆16Updated 5 years ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• materialsvirtuallab / materials.sh
  materials.sh
  ☆10Updated 5 years ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆41Updated 11 months ago
• materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-Conductors
  Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…
  ☆10Updated 4 years ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated last year
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆60Updated 11 months ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• qzhu2017 / PyXtal_ml
  a Python3 library for ML modeling materials properties
  ☆11Updated 5 years ago
• harharkh / sb_desc
  Calculation of the spherical Bessel descriptors for machine learning potentials.
  ☆9Updated 5 years ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 10 months ago
• CJBartel / compmatscipy
  ☆12Updated 2 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆33Updated 3 months ago