A Python module implemented in Rust for Phonopy
☆11Oct 2, 2026Updated 3 weeks ago
Alternatives and similar repositories for phonors
Users that are interested in phonors are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 2 weeks ago
- Pymatgen Core☆29Updated this week
- Custom trained GRACE-OFFF models☆11Jun 2, 2026Updated 4 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- Library for Crystal Symmetry in Rust☆84Oct 19, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆18Feb 26, 2026Updated 8 months ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- OpenMM plugin for running JAX force fields through JaxForce☆16Aug 10, 2026Updated 2 months ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆33Updated this week
- Grain-boundary generator with Atomman☆13Sep 24, 2022Updated 4 years ago
- ☆22Updated this week
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- ☆17Apr 22, 2025Updated last year
- ☆39Oct 11, 2026Updated 2 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Tensor Atomic/Edge Cluster Expansion☆75Updated this week
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆88Updated this week
- ☆22May 7, 2025Updated last year
- A Scheil-Gulliver simulation tool using pycalphad.☆33Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆18Feb 24, 2026Updated 8 months ago
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆36Jul 20, 2026Updated 3 months ago
- Compute neighbor lists for atomistic systems☆88Oct 19, 2026Updated last week
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆31Jan 30, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 6 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- Slurm Dashboard VSCode extension☆29Jul 20, 2026Updated 3 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆76Apr 26, 2026Updated 6 months ago
- Statistical Mechanics on Lattices☆101Oct 19, 2026Updated last week
- ☆63Sep 16, 2026Updated last month
- Code for “Speculative Sampling For Faster Molecular Dynamics”.☆15Jul 28, 2026Updated 2 months ago
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆80Apr 5, 2026Updated 6 months ago
- Datasets to be used by ESPEI. CC-BY-4.0☆16Oct 9, 2021Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 3 years ago
- electrostatic model sandbox based on the MACE MLIP architecture☆39Updated this week
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆58Oct 2, 2026Updated 3 weeks ago
- ☆17Jul 23, 2026Updated 3 months ago
- jax/flax training infrastructure☆16Oct 2, 2026Updated 3 weeks ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- Python/Pytorch wrapper for opxrd dataset☆11Jun 21, 2025Updated last year