Alternatives and similar repositories for moyo

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

• symfc / symfc
  Generate symmetrized force constants
  ☆21Updated 2 weeks ago
• Griffin-Group / pymatgen-io-espresso
  A pymatgen addon for parsing Quantum ESPRESSO files
  ☆22Updated 6 months ago
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆29Updated this week
• GKieslich / crystIT
  Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…
  ☆16Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• JaGeo / TutorialAtomate2Forcefields
  Tutorial to learn basic features of atomate2
  ☆14Updated 9 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆44Updated this week
• Matgenix / qtoolkit
  ☆12Updated 5 months ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆23Updated 4 months ago
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆19Updated 7 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆21Updated 2 months ago
• materialsproject / foundation
  ☆17Updated 2 months ago
• wexlergroup / FreeBird.jl
  Free energy calculators by Bayesian-inspired nested sampling and other integration techniques
  ☆16Updated this week
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆17Updated 5 years ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/pdf?…
  ☆58Updated this week
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆47Updated last week
• ChengUCB / les
  ☆18Updated this week
• zhubonan / airsspy
  Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
  ☆18Updated last year
• atomicarchitects / phonax
  ☆21Updated last year
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated this week
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆28Updated last week
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 4 months ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated last year
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆21Updated last month
• materialsproject / pyrho
  ☆40Updated last week
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆33Updated this week
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆18Updated 10 months ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆21Updated 7 years ago
• IonRepo / IonDiff
  Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.
  ☆13Updated this week
• BAMeScience / equitrain
  Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials
  ☆12Updated 2 weeks ago