Alternatives and similar repositories for AtomisticReverseMonteCarlo

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

• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆36Updated 7 months ago
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆48Updated last week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆50Updated last month
• ChengUCB / les
  ☆29Updated last week
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆46Updated last week
• janosh / ffonons
  Phonons from ML force fields
  ☆23Updated 4 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆38Updated 3 weeks ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆43Updated this week
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated last year
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆20Updated 2 months ago
• ulissigroup / vasp-interactive
  ☆69Updated 2 years ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆59Updated 3 months ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆29Updated 3 months ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆75Updated 2 weeks ago
• libAtoms / workflow
  python workflow toolkit
  ☆44Updated last week
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆29Updated 6 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆31Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated last week
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆75Updated last week
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆25Updated 8 months ago
• 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…
  ☆20Updated 11 months ago
• computron / pymatgen_tutorials
  Tutorials for using the pymatgen library
  ☆62Updated 5 months ago
• Atomic-Samplers / quansino
  `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms
  ☆28Updated last week
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆86Updated last month
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆125Updated last week
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆26Updated 3 years ago