atomicarchitects / phonaxLinks
☆22Updated last year
Alternatives and similar repositories for phonax
Users that are interested in phonax are comparing it to the libraries listed below
Sorting:
- ☆41Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- Alchemical machine learning interatomic potentials☆33Updated last year
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 5 months ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- Active Learning for Machine Learning Potentials☆63Updated 2 months ago
- Compute neighbor lists for atomistic systems☆73Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆88Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆58Updated 2 months ago
- Tools for machine learnt interatomic potentials☆42Updated this week
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated last week
- python workflow toolkit☆43Updated last month
- ☆30Updated 6 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆51Updated 2 weeks ago
- Phonons from ML force fields☆23Updated 6 months ago
- Reproduction of CGCNN for predicting material properties☆24Updated last week
- dataset augmentation for atomistic machine learning☆23Updated 2 months ago
- ☆11Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆54Updated last week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated last week
- MACE_Osaka24 models☆25Updated last year
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆27Updated 3 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆40Updated 3 months ago
- Random symmetric initialization of crystals☆25Updated 8 years ago
- A framework for performing active learning for training machine-learned interatomic potentials.☆39Updated 2 months ago
- graph2mat: Graph to matrix conversion☆19Updated 2 weeks ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 9 months ago
- Library for Crystal Symmetry in Rust☆69Updated last week