MACE foundation models (MP, OMAT, mh-1)
☆204Feb 23, 2026Updated last week
Alternatives and similar repositories for mace-foundations
Users that are interested in mace-foundations are comparing it to the libraries listed below
Sorting:
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,064Feb 23, 2026Updated last week
- A python library for calculating materials properties from the PES☆131Feb 23, 2026Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆84Dec 17, 2025Updated 2 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆92Feb 23, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆138Updated this week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Jan 28, 2026Updated last month
- Tools for machine learnt interatomic potentials☆44Feb 21, 2026Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆365Feb 19, 2026Updated last week
- Machine Learned Interatomic Potential Tools☆24Feb 23, 2026Updated last week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆226Feb 25, 2026Updated last week
- Compute neighbor lists for atomistic systems☆74Updated this week
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 6 months ago
- Phonons from ML force fields☆23Jul 7, 2025Updated 7 months ago
- Create atomistic structures with ASE, rdkit and packmol☆24Updated this week
- Torch-native, batchable, atomistic simulations.☆421Updated this week
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆203Feb 16, 2026Updated 2 weeks ago
- MLP training for molecular systems☆56Feb 24, 2026Updated last week
- ORB forcefield models from Orbital Materials☆546Feb 17, 2026Updated 2 weeks ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆92Jan 13, 2026Updated last month
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 4 months ago
- Equivariant machine learning interatomic potentials in JAX.☆87Feb 10, 2026Updated 3 weeks ago
- train and use graph-based ML models of potential energy surfaces☆122Feb 20, 2026Updated last week
- Particle-mesh based calculations of long-range interactions in PyTorch☆76Jan 29, 2026Updated last month
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆59Sep 26, 2025Updated 5 months ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆513Feb 25, 2026Updated last week
- Graph deep learning library for materials☆510Updated this week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆95Updated this week
- i-PI: a universal force engine☆287Feb 23, 2026Updated last week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆212Feb 14, 2026Updated 2 weeks ago
- Zero Shot Molecular Generation via Similarity Kernels☆28Aug 27, 2025Updated 6 months ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated 11 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆25Jul 26, 2024Updated last year
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆60Updated this week
- Collection of tutorials to use the MACE machine learning force field.☆53Jan 22, 2026Updated last month
- NequIP is a code for building E(3)-equivariant interatomic potentials☆868Feb 25, 2026Updated last week
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆187Jan 15, 2026Updated last month
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆46Jan 21, 2026Updated last month
- Computing representations for atomistic machine learning☆78Feb 4, 2026Updated last month