FabianFuchsML / se3-transformer-publicLinks
code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503
☆524Updated last year
Alternatives and similar repositories for se3-transformer-public
Users that are interested in se3-transformer-public are comparing it to the libraries listed below
Sorting:
- Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration wit…☆289Updated 2 years ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆472Updated 5 months ago
- ☆480Updated 3 years ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆359Updated 2 years ago
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆222Updated last year
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆269Updated 5 months ago
- ☆157Updated 5 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆239Updated 3 months ago
- ATOM3D: tasks on molecules in three dimensions☆307Updated 2 years ago
- Euclidean Neural Networks☆195Updated 4 years ago
- A modular framework for neural networks with Euclidean symmetry☆1,091Updated last month
- ☆502Updated 2 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆267Updated 3 months ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆322Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆262Updated last year
- Implementation for SE(3) diffusion model with application to protein backbone generation☆377Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆334Updated last year
- An all-atom protein structure dataset for machine learning.☆352Updated last year
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆163Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆279Updated 2 years ago
- Training neural network potentials☆406Updated 3 weeks ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆228Updated 5 months ago
- A Euclidean diffusion model for structure-based drug design.☆421Updated 3 months ago
- The official implementation of the Molecule Attention Transformer.☆245Updated 5 years ago
- E(3) Steerable Graph Neural Network☆118Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆508Updated 3 months ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆525Updated 2 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆166Updated 3 years ago
- SchNet - a deep learning architecture for quantum chemistry☆248Updated 6 years ago
- Generative Models for Graph-Based Protein Design☆277Updated 4 years ago