[ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
☆30Feb 24, 2025Updated last year
Alternatives and similar repositories for symphony
Users that are interested in symphony are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆22Nov 16, 2025Updated 11 months ago
- Metrics for assessing 3D molecular structures.☆11May 9, 2026Updated 5 months ago
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- An easy (and fast) API for popular 3D molecular datasets!☆50May 3, 2026Updated 5 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated 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.
- [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
- Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles☆23May 16, 2026Updated 5 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆106Jan 7, 2026Updated 9 months ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 3 years ago
- Garnet biomolecular force field☆13Sep 18, 2026Updated last month
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆20Jul 16, 2025Updated last year
- ☆25Nov 1, 2023Updated 2 years ago
- ☆13Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Pure C implementation of e3nn☆26Mar 17, 2025Updated last year
- Fully-Differentiable Tensor Spherical Harmonics in JAX☆21Apr 11, 2026Updated 6 months ago
- Implementation of various equivariant models in JAX☆18Apr 12, 2024Updated 2 years ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆172Updated this week
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆29Aug 27, 2026Updated 2 months ago
- ☆16Jul 21, 2026Updated 3 months ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- A scalable architecture for generating 3D molecules atom-by-atom☆15Sep 6, 2025Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 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.
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- Official implement of SPHNet and WANet☆20Dec 16, 2025Updated 10 months ago
- ☆144May 7, 2024Updated 2 years ago
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated last year
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆34Nov 8, 2024Updated last year
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆257Oct 19, 2026Updated last week
- jax library for E3 Equivariant Neural Networks☆235Apr 1, 2026Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆323Apr 13, 2026Updated 6 months ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆353Apr 10, 2026Updated 6 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.
- Repository of Quantum Datasets Publicly Available☆70Jun 19, 2025Updated last year
- ☆18Mar 17, 2025Updated last year
- ☆17Jun 24, 2024Updated 2 years ago
- ☆14Dec 28, 2025Updated 10 months ago
- Mapping properties to molecules in QM7-X☆15Aug 14, 2024Updated 2 years ago
- Public releases of the msmJAX fast electrostatics code☆13Mar 26, 2026Updated 7 months ago
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 3 months ago