Alternatives and similar repositories for LAVA

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

• i-pi / tutorials-schools
  ☆19Updated 4 years ago
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆14Updated 2 years ago
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆26Updated last week
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆21Updated 4 months ago
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆21Updated 3 years ago
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆30Updated 3 years ago
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆13Updated 4 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆22Updated 2 years ago
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆19Updated last year
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆14Updated 3 months ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆32Updated 2 weeks ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated 3 months ago
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆43Updated 10 months ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆22Updated 7 months ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆23Updated 2 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆20Updated 5 years ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• MDIL-SNU / AMP2
  ☆22Updated 2 years ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated 2 years ago
• rjacobs914 / VASP-Tools
  A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…
  ☆17Updated 7 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆17Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• materialyzeai / 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…
  ☆12Updated 5 years ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated last year
• MFTabriz / slabcc
  SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…
  ☆17Updated 11 months ago
• Chenghao-Wu / SMolSAT
  SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
  ☆15Updated last year