spglib / moyoLinks
Library for Crystal Symmetry in Rust
☆69Updated last week
Alternatives and similar repositories for moyo
Users that are interested in moyo are comparing it to the libraries listed below
Sorting:
- Generate symmetrized force constants☆26Updated last week
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆54Updated last week
- Tools for machine learnt interatomic potentials☆42Updated this week
- A pymatgen addon for parsing Quantum ESPRESSO files☆30Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- ☆17Updated 10 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆88Updated last week
- Compute neighbor lists for atomistic systems☆73Updated this week
- python workflow toolkit☆43Updated last month
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated last week
- Alchemical machine learning interatomic potentials☆33Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- ☆42Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- ☆12Updated 3 weeks ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- materials science related animations☆13Updated last year
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 5 months ago
- Tracking citations of atomistic simulation engines☆27Updated 3 weeks ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Updated last week
- ☆22Updated last year
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆18Updated last month
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆49Updated last week
- Phonons from ML force fields☆23Updated 6 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆21Updated last year
- ⚛ download and manipulate atomistic datasets☆48Updated 2 months ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Updated last month
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated 3 weeks ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last month
- ☆41Updated last week