Alternatives and similar repositories for phonax

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

• ChengUCB / les
  ☆25Updated 2 weeks ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆35Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated 2 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…
  ☆63Updated last month
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆46Updated this week
• libAtoms / workflow
  python workflow toolkit
  ☆43Updated this week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆60Updated last week
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆37Updated this week
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆32Updated 10 months ago
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆19Updated 2 weeks ago
• mir-group / allegro-pol
  ☆28Updated 2 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆56Updated last month
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆24Updated last month
• zhubonan / airsspy
  Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
  ☆19Updated last year
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆47Updated 8 months ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆48Updated last year
• maurergroup / MACE-H
  Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages
  ☆18Updated 2 weeks ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆55Updated last week
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆91Updated last week
• 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
• jcwang587 / cgcnn2
  Reproduction of CGCNN for predicting material properties
  ☆23Updated last week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆21Updated last year
• jla-gardner / augment-atoms
  dataset augmentation for atomistic machine learning
  ☆20Updated 2 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 10 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆17Updated 8 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆116Updated last week
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆44Updated last week
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆36Updated last month
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated last year