☆24Mar 18, 2024Updated 2 years ago
Alternatives and similar repositories for phonax
Users that are interested in phonax are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 8 months ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- tools for graph-based machine-learning potentials in jax☆28Apr 9, 2024Updated 2 years ago
- Material for the hands-on sessions of the ICTP-MARVEL College (Trieste, June 1-12 2026)☆22Jun 11, 2026Updated 4 months ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- 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
- [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
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 4 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆35May 4, 2026Updated 5 months ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆21Apr 13, 2026Updated 6 months ago
- Universal PET models in JAX☆12Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 5 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆32Oct 20, 2026Updated last week
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated 2 years ago
- Take the pain out of installing and running machine-learning interatomic potentials: every major MLIP in one registry, set up, verified a…☆20Oct 19, 2026Updated last week
- VibroML: Machine-Learning Vibrational Analysis & Stability☆11Updated this week
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆34Oct 22, 2026Updated last week
- An open-source Python framework that integrates machine learning interatomic potentials (MLIPs) with a tailored batched optimization str…☆12Jul 7, 2026Updated 3 months ago
- ☆22Updated this week
- FLOPS counter for all your GPU benchmarking needs☆13Aug 8, 2024Updated 2 years ago
- 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.
- ☆13Nov 2, 2024Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 3 months ago
- ☆17Jul 23, 2026Updated 3 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆37Oct 8, 2026Updated 3 weeks ago
- MLPs fitted using the Latent Ewald Summation (LES) library and associated scripts.☆29May 22, 2026Updated 5 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆43Aug 19, 2026Updated 2 months ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Python toolkit for molecular dynamics analysis☆50Oct 19, 2026Updated last week
- ☆17Apr 22, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆26Oct 8, 2025Updated last year
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- Robust machine learning interatomic potentials (MLIPs) that achieve accuracy comparable to the ωB97X-D3BJ/def2-TZVPP quantum mechanical m…☆11Jun 9, 2026Updated 4 months ago
- A flexible and performant framework for training machine learning potentials.☆39Oct 19, 2026Updated last week
- Tensor Atomic/Edge Cluster Expansion☆75Updated this week
- jax/flax training infrastructure☆16Oct 2, 2026Updated 3 weeks ago
- Uncertainty quantification (UQ) for Machine-Learning Interatomic Potentials (MLIPs)☆32Sep 21, 2026Updated last month