Alternatives and similar repositories for grip

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

• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 4 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆23Updated 5 months ago
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆60Updated 3 weeks ago
• GKieslich / crystIT
  Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…
  ☆16Updated last week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated 2 weeks ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated 3 weeks ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated 2 years ago
• ICAMS / python-ace
  ☆101Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated 2 weeks ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆44Updated 10 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated 2 weeks ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆21Updated 5 years ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆37Updated 9 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆39Updated last week
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆27Updated 11 months ago
• caneparesearch / kMCpy
  ☆27Updated last month
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆101Updated 2 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆61Updated this week
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆22Updated 2 years ago
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆29Updated 5 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆78Updated 2 weeks 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
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆29Updated 5 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆96Updated last month
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆47Updated 2 weeks ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆91Updated this week