MACE_Osaka24 models
☆29Apr 15, 2026Updated 3 months ago
Alternatives and similar repositories for mace-osaka24
Users that are interested in mace-osaka24 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Apr 15, 2026Updated 3 months ago
- Diffusion models for disordered materials☆21Nov 18, 2025Updated 8 months ago
- ☆25Jul 16, 2026Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆105Jul 2, 2026Updated 3 weeks ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆106Jan 28, 2026Updated 6 months ago
- QUASAR is an autonomous system for end-to-end scientific discovery, integrating LLMs with simulation tools to automate workflows across q…☆18May 26, 2026Updated 2 months ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆63Apr 1, 2026Updated 3 months ago
- Tools for geometric learning☆12Sep 26, 2025Updated 10 months ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆20Jun 10, 2026Updated last month
- Enhanced sampling in the representation space of atomistic neural networks.☆15Updated this week
- OMNI-P2x: A universal neural network potential for excited states☆15Mar 19, 2026Updated 4 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months 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.
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated last month
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆98Sep 20, 2025Updated 10 months ago
- Collection of tutorials to use the MACE machine learning force field.☆69Jul 13, 2026Updated 2 weeks ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆45Jul 14, 2026Updated 2 weeks ago
- A benchmark for Large Atomistic Models☆20Jul 20, 2026Updated last week
- Tools for building equivariant polynomials on reductive Lie groups.☆38Jun 29, 2023Updated 3 years ago
- 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.
- ☆24May 21, 2025Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 11 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26Updated this week
- URL links to phonondb data☆40May 20, 2026Updated 2 months ago
- Automation software for calculating anharmonic phonon properties☆27Jul 3, 2026Updated 3 weeks ago
- ☆57Updated this week
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- Framework to evaluate UMLFFs on experimental data☆15Updated this week
- 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.
- dataset augmentation for atomistic machine learning☆26Nov 21, 2025Updated 8 months ago
- ☆15Feb 17, 2025Updated last year
- Compute neighbor lists for atomistic systems☆83Jul 22, 2026Updated last week
- Sum-of-Gaussians Neural Network (SOG-Net) is a lightweight and versatile framework for integrating long-range interactions into machine l…☆35Dec 23, 2025Updated 7 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Jul 15, 2026Updated 2 weeks ago
- Data Science for Materials - Collection of Open Educational Resources☆17Jun 18, 2025Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 4 years ago