Geometric algebra attention mechanism for tensorflow, keras, pytorch, and jax
☆22Jan 24, 2024Updated 2 years ago
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:
- Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"☆56Oct 20, 2021Updated 4 years ago
- Python package for Geometric / Clifford Algebra with TensorFlow☆52May 23, 2023Updated 2 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Jan 12, 2021Updated 5 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Apr 1, 2022Updated 3 years ago
- ☆34Feb 12, 2025Updated last year
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated 11 months ago
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 3 years ago
- ChebLieNet, a spectral graph neural network turned equivariant by Riemannian geometry on Lie groups.☆14Aug 20, 2024Updated last year
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago
- ☆16Mar 2, 2022Updated 4 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Dec 1, 2022Updated 3 years ago
- ☆23Nov 1, 2023Updated 2 years ago
- This repository implements Distilled Graph Attention Policy Networks (DGAPNs), a curiosity-driven reinforcement learning model to generat…☆21Jan 21, 2022Updated 4 years ago
- C++/CUDA library for SO(3) equivariant operations☆25Oct 21, 2025Updated 4 months ago
- Wigner's 3J, 6J, 9J symbols for python☆23Jul 9, 2025Updated 8 months ago
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- Automated tools for submitting molecules to QCFractal☆27Feb 23, 2026Updated 2 weeks ago
- Fast and versatile biomolecular structure PDB file parser using SQL queries☆24Mar 17, 2023Updated 2 years ago
- ☆31Aug 19, 2024Updated last year
- ☆26Jan 11, 2024Updated 2 years ago
- PHASE(Parallel High-performence Agent-based Simulation Environment)☆10Jun 30, 2020Updated 5 years ago
- GEOM: Energy-annotated molecular conformations☆240Apr 24, 2022Updated 3 years ago
- TbGAL: Tensor-Based Geometric Algebra Library☆29Apr 10, 2022Updated 3 years ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 3 years ago
- Python code for the post "Computing Homology"☆29Oct 16, 2022Updated 3 years ago
- Codebase for Cormorant Neural Networks☆60May 11, 2022Updated 3 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28May 19, 2022Updated 3 years ago
- Heterogeneous Molecular Graph Neural Network☆28Sep 29, 2020Updated 5 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 2 years ago
- Enable cheminformatics and quantum chemistry☆77Jan 11, 2024Updated 2 years ago
- E(3) Steerable Graph Neural Network☆126Feb 10, 2023Updated 3 years ago
- G-SchNet - a generative model for 3d molecular structures☆145Mar 24, 2023Updated 2 years ago
- ☆223Feb 7, 2025Updated last year
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 3 months ago
- Web platform for the design of DES solvents☆16Aug 16, 2023Updated 2 years ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago