☆10Sep 19, 2023Updated 3 years ago
Alternatives and similar repositories for mace-jax
Users that are interested in mace-jax are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CUDA implementations of MACE models☆22Aug 19, 2025Updated last year
- Tools for geometric learning☆12Sep 26, 2025Updated last year
- ☆19Mar 14, 2023Updated 3 years ago
- Compute neighbor lists for atomistic systems☆88Oct 22, 2026Updated last week
- MESS: Modern Electronic Structure Simulations☆44May 9, 2026Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆12Oct 10, 2023Updated 3 years ago
- ☆12Sep 16, 2024Updated 2 years ago
- Universal PET models in JAX☆12Updated this week
- Equivariant machine learning interatomic potentials in JAX.☆114Updated this week
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- ☆14May 10, 2024Updated 2 years ago
- Zero Shot Molecular Generation via Similarity Kernels☆31Aug 30, 2026Updated 2 months ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆21Aug 30, 2022Updated 4 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- 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.
- ☆13May 28, 2026Updated 5 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆32Oct 20, 2026Updated last week
- jax library for E3 Equivariant Neural Networks☆235Apr 1, 2026Updated 6 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- A 22.9 million carbon atom dataset☆16Mar 7, 2023Updated 3 years ago
- ☆16Oct 1, 2023Updated 3 years ago
- electrostatic model sandbox based on the MACE MLIP architecture☆40Oct 24, 2026Updated last week
- ☆11Jul 9, 2021Updated 5 years ago
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Mar 9, 2020Updated 6 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Structural Analysis of Porphyrinoids & Corrinoids☆15Jun 19, 2026Updated 4 months ago
- ZnH5MD - High Performance Interface for H5MD Trajectories☆14Updated this week
- ☆18Feb 26, 2026Updated 8 months ago
- ☆18Sep 12, 2023Updated 3 years ago
- Graph neural network potential with charge transfer☆37Apr 6, 2022Updated 4 years ago
- jax/flax training infrastructure☆16Oct 2, 2026Updated 3 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 3 months ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- MESS: Modern Electronic Structure Simulations☆21Sep 24, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 9 months ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- Code for "Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Dataset"☆12Apr 9, 2024Updated 2 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆22Updated this week
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆446Updated this week
- ☆63Sep 16, 2026Updated last month
- C++/CUDA library for SO(3) equivariant operations☆27Aug 20, 2026Updated 2 months ago