atomicarchitects / phonaxLinks
☆21Updated last year
Alternatives and similar repositories for phonax
Users that are interested in phonax are comparing it to the libraries listed below
Sorting:
- ☆40Updated 3 weeks ago
- Quick Uncertainty and Entropy via STructural Similarity☆55Updated this week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆55Updated 2 months ago
- Active Learning for Machine Learning Potentials☆63Updated last month
- python workflow toolkit☆43Updated 3 weeks ago
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 4 months ago
- Compute neighbor lists for atomistic systems☆70Updated this week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- Alchemical machine learning interatomic potentials☆32Updated last year
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Updated last month
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆87Updated 3 weeks ago
- MACE_Osaka24 models☆24Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated 5 months ago
- Tools for machine learnt interatomic potentials☆42Updated this week
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- Phonons from ML force fields☆23Updated 6 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆27Updated 3 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- ☆11Updated last year
- ⚛ download and manipulate atomistic datasets☆48Updated last month
- dataset augmentation for atomistic machine learning☆22Updated last month
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- ☆29Updated 6 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆23Updated last year
- A RL framework for Crystal Structure Generation using GRPO☆37Updated 3 weeks ago
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated 3 weeks ago
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆48Updated this week
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆40Updated this week
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week