Library for Crystal Symmetry in Rust
β70Mar 23, 2026Updated this week
Alternatives and similar repositories for moyo
Users that are interested in moyo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package to simulate differential absorption spectra of crystals from first principlesβ33Dec 21, 2025Updated 3 months ago
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β92Updated this week
- A python library for calculating materials properties from the PESβ133Updated this week
- Vote on whether you think predicted crystal structures could be synthesisedβ18Jul 29, 2024Updated last year
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentialsβ11Jan 28, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient β’ AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- β17Mar 24, 2025Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materialsβ44Mar 14, 2026Updated last week
- A tool for finding optimized SQS structures tool written in C++β66Mar 14, 2026Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.β13Jul 10, 2023Updated 2 years ago
- β12Mar 6, 2026Updated 2 weeks ago
- Compute neighbor lists for atomistic systemsβ74Mar 10, 2026Updated 2 weeks ago
- materials science related animationsβ13Jan 9, 2025Updated last year
- The Wren sits on its Roost in the Aviary.β61Jan 6, 2026Updated 2 months ago
- β download and manipulate atomistic datasetsβ48Nov 25, 2025Updated 4 months ago
- Managed Database hosting by DigitalOcean β’ AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- An evaluation framework for machine learning models simulating high-throughput materials discovery.β214Updated this week
- β10Sep 26, 2025Updated 5 months ago
- A pymatgen addon for parsing Quantum ESPRESSO filesβ32Nov 30, 2024Updated last year
- A toolkit for visualizations in materials informatics.β307Updated this week
- Alchemical machine learning interatomic potentialsβ34Nov 8, 2024Updated last year
- train and use graph-based ML models of potential energy surfacesβ122Mar 9, 2026Updated 2 weeks ago
- GRACE models and gracemaker (as implemented in TensorPotential package)β88Mar 6, 2026Updated 2 weeks ago
- β23Mar 5, 2026Updated 3 weeks ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPβ¦β97Jan 28, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI β’ AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- On-the-fly generator of space-group irreducible representationsβ56Updated this week
- A code to generate atomic structure with symmetryβ360Updated this week
- Use time-splits for Materials Project entries for generative modeling benchmarking.β12Mar 12, 2026Updated 2 weeks ago
- Tutorial to learn basic features of atomate2β15Sep 17, 2024Updated last year
- Specification of a common REST API for access to materials databasesβ104Feb 6, 2026Updated last month
- A RL framework for Crystal Structure Generation using GRPOβ41Feb 8, 2026Updated last month
- Minimum-strain symmetrization of Bravais latticesβ18May 14, 2020Updated 5 years ago
- Gaussian and Lorentzian smearing of simulated spectraβ44Oct 8, 2024Updated last year
- Band structure unfolding made easy!β61Mar 1, 2026Updated 3 weeks ago
- Open source password manager - Proton Pass β’ AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defecβ¦β240Mar 16, 2026Updated last week
- β42Mar 14, 2026Updated last week
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.β29Jan 30, 2025Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integrβ¦β61Nov 7, 2025Updated 4 months ago
- Torch-native, batchable, atomistic simulations.β432Updated this week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.β18Oct 19, 2025Updated 5 months ago
- A Python 3 script to visualise atomic displacement using the Vesta file formatβ23Apr 19, 2020Updated 5 years ago