MACE foundation models (MP, OMAT, mh-1)
☆242Apr 14, 2026Updated 2 weeks ago
Alternatives and similar repositories for mace-foundations
Users that are interested in mace-foundations are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,160Apr 6, 2026Updated 3 weeks ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆90Mar 6, 2026Updated last month
- A python library for calculating materials properties from the PES☆140Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆98Apr 16, 2026Updated 2 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆145Apr 23, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆380Feb 19, 2026Updated 2 months ago
- Tools for machine learnt interatomic potentials☆44Apr 27, 2026Updated last week
- ORB forcefield models from Orbital Materials☆571Mar 18, 2026Updated last month
- Phonons from ML force fields☆23Mar 22, 2026Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆102Jan 28, 2026Updated 3 months ago
- Torch-native, batchable, atomistic simulations.☆454Apr 25, 2026Updated last week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆222Updated this week
- Create atomistic structures with ASE, rdkit and packmol☆25Apr 27, 2026Updated last week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆243Apr 19, 2026Updated 2 weeks ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆535Updated this week
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆211Apr 17, 2026Updated 2 weeks ago
- Graph deep learning library for materials☆536Updated this week
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆103Mar 11, 2026Updated last month
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 6 months ago
- Compute neighbor lists for atomistic systems☆79Apr 24, 2026Updated last week
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 8 months ago
- Machine Learned Interatomic Potential Tools☆25Apr 27, 2026Updated last week
- This repository contains the official PyTorch implementation of MatRIS.☆37Nov 7, 2025Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- NequIP is a code for building E(3)-equivariant interatomic potentials☆900Apr 21, 2026Updated last week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆26Jul 26, 2024Updated last year
- URL links to phonondb data☆38Feb 16, 2026Updated 2 months ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆17Apr 26, 2026Updated last week
- train and use graph-based ML models of potential energy surfaces☆122Mar 9, 2026Updated last month
- MLP training for molecular systems☆59Updated this week
- Equivariant machine learning interatomic potentials in JAX.☆99Apr 25, 2026Updated last week
- Particle-mesh based calculations of long-range interactions in PyTorch☆79Apr 1, 2026Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆98Updated this week
- 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.
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆25Updated this week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆76Apr 21, 2026Updated 2 weeks ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 7 months ago
- i-PI: a universal force engine☆293Apr 27, 2026Updated last week
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆192Apr 7, 2026Updated 3 weeks ago
- Collection of tutorials to use the MACE machine learning force field.☆55Jan 22, 2026Updated 3 months ago
- scalable molecular simulation☆141Updated this week