lsj2408 / Gaunt-Tensor-ProductLinks
[ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products"
☆64Updated 9 months ago
Alternatives and similar repositories for Gaunt-Tensor-Product
Users that are interested in Gaunt-Tensor-Product are comparing it to the libraries listed below
Sorting:
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆38Updated 6 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆152Updated 9 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated 10 months ago
- ☆33Updated 6 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆43Updated 2 weeks ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 9 months ago
- ☆59Updated 8 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆42Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆54Updated this week
- Coarse-grained Diffusion for Metal-Organic Framework Design☆48Updated last year
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆65Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆24Updated 6 months ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆284Updated 6 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆52Updated 5 months ago
- Higher-order equivariant neural networks for charge density prediction in materials☆61Updated 6 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆248Updated 6 months ago
- Build neural networks for machine learning force fields with JAX☆124Updated 2 months ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆56Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆74Updated 4 months ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆14Updated last month
- Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…☆24Updated 11 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆102Updated last year
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆282Updated last week
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆249Updated 2 months ago
- E(3) Steerable Graph Neural Network☆121Updated 2 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 3 years ago
- ☆23Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 4 months ago