MACE foundation models (MP, OMAT, mh-1)
☆266May 3, 2026Updated last month
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.☆1,234Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆94Jun 5, 2026Updated last week
- A python library for calculating materials properties from the PES☆143Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆101Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆151Jun 1, 2026Updated last 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.
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆386Feb 19, 2026Updated 3 months ago
- Tools for machine learnt interatomic potentials☆47Apr 27, 2026Updated last month
- ORB forcefield models from Orbital Materials☆596Updated this week
- Phonons from ML force fields☆25Mar 22, 2026Updated 2 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆104Jan 28, 2026Updated 4 months ago
- Torch-native, batchable, atomistic simulations.☆467Jun 6, 2026Updated last week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆232Updated this week
- Create atomistic structures with ASE, rdkit and packmol☆26Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆250Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆566May 28, 2026Updated 2 weeks ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆218Apr 17, 2026Updated last month
- Graph deep learning library for materials☆550Jun 5, 2026Updated last week
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆105Mar 11, 2026Updated 3 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 7 months ago
- Compute neighbor lists for atomistic systems☆80Jun 2, 2026Updated last week
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 9 months ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- This repository contains the official PyTorch implementation of MatRIS.☆38Nov 7, 2025Updated 7 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.
- NequIP is a code for building E(3)-equivariant interatomic potentials☆921Updated this week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆29Jul 26, 2024Updated last year
- URL links to phonondb data☆38May 20, 2026Updated 3 weeks ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆19May 10, 2026Updated last month
- train and use graph-based ML models of potential energy surfaces☆124May 7, 2026Updated last month
- MLP training for molecular systems☆60May 1, 2026Updated last month
- Equivariant machine learning interatomic potentials in JAX.☆102Apr 25, 2026Updated last month
- Particle-mesh based calculations of long-range interactions in PyTorch☆80Jun 5, 2026Updated last week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆100Updated this 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.
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26May 5, 2026Updated last month
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆82Updated this week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 8 months ago
- i-PI: a universal force engine☆303Updated this week
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆196Apr 7, 2026Updated 2 months ago
- Collection of tutorials to use the MACE machine learning force field.☆60Jan 22, 2026Updated 4 months ago
- scalable molecular simulation☆142Apr 28, 2026Updated last month