klarh / geometric_algebra_attentionLinks
Geometric algebra attention mechanism for tensorflow, keras, pytorch, and jax
☆22Updated last year
Alternatives and similar repositories for geometric_algebra_attention
Users that are interested in geometric_algebra_attention are comparing it to the libraries listed below
Sorting:
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Updated 3 years ago
- Geometric super-resolution for molecular geometries☆42Updated 3 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆18Updated 2 years ago
- ☆38Updated 3 years ago
- Deep Supervised Graph Partitioning Model☆14Updated 4 years ago
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Updated 2 years ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆72Updated 2 years ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆25Updated 3 years ago
- Generative model for molecular distance geometry☆38Updated 2 years ago
- Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2021).☆14Updated 4 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Steerable E(3) GNN in jax☆24Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 9 months ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- ☆90Updated 4 years ago
- ☆34Updated 3 years ago
- E(3) Steerable Graph Neural Network☆124Updated 2 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆35Updated 6 years ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Updated 6 years ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆31Updated 2 years ago
- ☆21Updated 6 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Updated 4 years ago
- ☆59Updated 3 years ago
- Codebase for Cormorant Neural Networks☆60Updated 3 years ago
- ☆25Updated 4 months ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Updated 3 years ago
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Updated 6 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆24Updated 3 weeks ago
- ☆26Updated last year
- Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"☆56Updated 4 years ago