lucidrains / se3-transformer-pytorch
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
☆252Updated last year
Related projects: ⓘ
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆207Updated 3 months ago
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆485Updated last year
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆147Updated last year
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆239Updated 8 months ago
- ☆151Updated 4 years ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆409Updated 10 months ago
- A denoising diffusion probabilistic model (DDPM) tailored for conditional generation of protein distograms☆134Updated 2 years ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆156Updated 4 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆193Updated last month
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆250Updated 7 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆320Updated last year
- Implementation for SE(3) diffusion model with application to protein backbone generation☆312Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆195Updated last year
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆72Updated 3 years ago
- ATOM3D: tasks on molecules in three dimensions☆298Updated last year
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆159Updated 2 years ago
- E(3) Steerable Graph Neural Network☆104Updated last year
- Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…☆85Updated 2 years ago
- Euclidean Neural Networks☆188Updated 3 years ago
- ☆411Updated 2 years ago
- Implementation of Lie Transformer, Equivariant Self-Attention, in Pytorch☆87Updated 3 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆290Updated 5 months ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆84Updated last week
- Energy-based models for atomic-resolution protein conformations☆95Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆241Updated last year
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆158Updated last year
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆196Updated last month
- ☆75Updated 4 months ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆79Updated 3 years ago
- code for "Riemannian Flow Matching on General Geometries".☆166Updated 6 months ago