Higher order equivariant graph neural networks for 3D point clouds
☆46Jun 27, 2023Updated 2 years ago
Alternatives and similar repositories for mace-layer
Users that are interested in mace-layer are comparing it to the libraries listed below
Sorting:
- Equivariant machine learning interatomic potentials in JAX.☆87Feb 10, 2026Updated 2 weeks ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆69Nov 2, 2024Updated last year
- ☆17Sep 17, 2025Updated 5 months ago
- Tools for geometric learning☆12Sep 26, 2025Updated 5 months ago
- ☆42Feb 13, 2026Updated 2 weeks ago
- jax library for E3 Equivariant Neural Networks☆224Aug 25, 2025Updated 6 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆36Jun 29, 2023Updated 2 years ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,064Updated this week
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆94Feb 17, 2026Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆90Updated this week
- Polynomials for ML: fast evaluation, batching, differentiation☆14Dec 29, 2025Updated 2 months ago
- C++/CUDA library for SO(3) equivariant operations☆25Oct 21, 2025Updated 4 months ago
- ☆31Aug 19, 2024Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆111Apr 7, 2025Updated 10 months ago
- A modular framework for neural networks with Euclidean symmetry☆1,221Feb 13, 2026Updated 2 weeks ago
- Compute neighbor lists for atomistic systems☆74Updated this week
- Generate and predict molecular electron densities with Euclidean Neural Networks☆49Sep 22, 2023Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆269Feb 11, 2025Updated last year
- E(3) Steerable Graph Neural Network☆126Feb 10, 2023Updated 3 years ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 6 months ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Dec 1, 2022Updated 3 years ago
- Fork of the E2CNN library that adds support for equivariant partial differential operators☆17Apr 29, 2022Updated 3 years ago
- ☆19Mar 14, 2023Updated 2 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆19Feb 10, 2026Updated 2 weeks ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Oct 30, 2024Updated last year
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆70Jan 6, 2026Updated last month
- Particle-mesh based calculations of long-range interactions in PyTorch☆76Jan 29, 2026Updated last month
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆42Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆50Updated this week
- ☆119Feb 10, 2026Updated 2 weeks ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆130Updated this week
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated 10 months ago
- ☆12Jan 14, 2026Updated last month
- ☆21Dec 1, 2025Updated 3 months ago
- Toolkit containing implementations of GPU-accelerated approximate kernel models and efficient atomic representations. Yields accurate mod…☆14May 16, 2024Updated last year
- ☆11Feb 2, 2024Updated 2 years ago
- Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an int…☆11Jun 4, 2025Updated 8 months ago