Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
☆22Nov 16, 2025Updated 11 months ago
Alternatives and similar repositories for e3tools
Users that are interested in e3tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An easy (and fast) API for popular 3D molecular datasets!☆50May 3, 2026Updated 5 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆30Feb 24, 2025Updated last year
- Pure C implementation of e3nn☆26Mar 17, 2025Updated last year
- Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles☆23May 16, 2026Updated 5 months ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆20Jul 16, 2025Updated last year
- 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.
- Metrics for assessing 3D molecular structures.☆11May 9, 2026Updated 5 months ago
- Garnet biomolecular force field☆13Sep 18, 2026Updated last month
- JAX implementation of the NequIP neural network interatomic potential☆18Feb 24, 2026Updated 8 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆106Jan 7, 2026Updated 9 months ago
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆80Apr 5, 2026Updated 6 months ago
- ☆22May 7, 2025Updated last year
- High-performance CUDA kernels for equivariant graph neural networks (MACE, NequIP, Allegro). 10-20x faster than e3nn.☆44Jan 17, 2026Updated 9 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆30Dec 3, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 3 years ago
- Time-reversal Euclidean neural networks based on e3nn☆22Oct 25, 2026Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆172Oct 25, 2026Updated last week
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated 2 years ago
- [MLSys'23] Exploiting Hardware Utilization and Adaptive Dataflow for Efficient Sparse Convolution in 3D Point Clouds.☆13Jun 22, 2023Updated 3 years ago
- PaiNN in jax☆11Jan 14, 2025Updated last year
- Zero Shot Molecular Generation via Similarity Kernels☆31Aug 30, 2026Updated 2 months ago
- Awesome papers related to generative flow matching and its applications in bioinformatics. (Nature Machine Intelligence)☆51Oct 20, 2026Updated last week
- Fully-Differentiable Tensor Spherical Harmonics in JAX☆21Apr 11, 2026Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Questions regarding ML in drug discovery that keep me up at night☆14Mar 3, 2026Updated 7 months ago
- jax library for E3 Equivariant Neural Networks☆235Apr 1, 2026Updated 7 months ago
- Erwin: A Tree-based Hierarchical Transformer for Large-scale Physical Systems [ICML'25]☆119Oct 11, 2025Updated last year
- ☆28Apr 17, 2026Updated 6 months ago
- ☆18Apr 17, 2025Updated last year
- ☆14May 10, 2024Updated 2 years ago
- Implementation of various equivariant models in JAX☆18Apr 12, 2024Updated 2 years ago
- Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.☆17Sep 17, 2026Updated last month
- Implicit Convolutional Kernels for Steerable CNNs [NeurIPS'23]☆31Feb 25, 2025Updated last year
- 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.
- Tools for building equivariant polynomials on reductive Lie groups.☆39Jun 29, 2023Updated 3 years ago
- ☆15Jul 12, 2026Updated 3 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated 2 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- A scalable architecture for generating 3D molecules atom-by-atom☆15Sep 6, 2025Updated last year
- Structure-based fragment identification in latent space☆32Mar 4, 2026Updated 7 months ago