Repository for Autobahn: Automorphism Based Graph Neural Networks
☆30Mar 1, 2022Updated 4 years ago
Alternatives and similar repositories for Autobahn
Users that are interested in Autobahn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- C++/CUDA library for SO(3) equivariant operations☆26Oct 21, 2025Updated 5 months ago
- Authors' implementation of the paper "Equivariant Networks for Pixelized Spheres" published at ICML 2021.☆12Feb 23, 2022Updated 4 years ago
- Implementation of the BasePlanE models and the experiments from the NeurIPS 2023 paper "PlanE: Representation Learning over Planar Graphs…☆13Jan 27, 2024Updated 2 years ago
- ☆13Nov 13, 2020Updated 5 years ago
- Functional TensorFlow Implementation of Singular Value Decomposition for paper Fast Graph Learning☆13Feb 23, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Dynamic dispatch of a list of command-line tasks, locally or on a cluster. Supports retrying failed tasks, and adding/removing compute re…☆46Mar 3, 2026Updated last month
- Probing the limitations of multimodal language models for chemistry and materials research☆23Feb 1, 2026Updated 2 months ago
- AIRS-Bench: an AI Research Science benchmark for quantifying the end-to-end AI research abilities of LLM agents☆71Mar 17, 2026Updated 3 weeks ago
- Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction☆14Sep 13, 2022Updated 3 years ago
- Bayesian Optimisation for String Spaces☆24Oct 21, 2021Updated 4 years ago
- Efficient, Simple, and Automated Negative Sampling for Knowledge Graph Embedding. VLDBJ 2020.☆12Nov 9, 2020Updated 5 years ago
- ☆25Apr 3, 2024Updated 2 years ago
- Scattering GCN: overcoming oversmoothness in graph convolutional networks☆25Jun 6, 2022Updated 3 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A simple Python package for deep learning using forward automatic differentiation based on JAX.☆14Aug 17, 2022Updated 3 years ago
- ☆14Apr 7, 2022Updated 4 years ago
- ☆12Jul 8, 2022Updated 3 years ago
- Sample pytorch implementation of Covariant Compositional Networks☆13Feb 17, 2018Updated 8 years ago
- A PyTorch implementation of "Self-Supervised GNN that Jointly Learns to Augment" or "Jointly Learnable Data Augmentations for Self-Superv…☆13Dec 13, 2021Updated 4 years ago
- The official implementation of "A Theory of Link Prediction via Relational Weisfeiler-Leman on Knowledge Graphs" (NeurIPS 2023)☆12Sep 1, 2025Updated 7 months ago
- ☆14Nov 26, 2022Updated 3 years ago
- Source code for the Joint Shapley values: a measure of joint feature importance☆12Sep 14, 2021Updated 4 years ago
- [IEEE TSIPN' 2022] "Scalable Perception-Action-Communication Loops with Convolutional and Graph Neural Networks", by Ting-Kuei Hu, Fernan…☆15Feb 4, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆25Jan 10, 2025Updated last year
- ☆15Dec 31, 2024Updated last year
- Fast graph classifier with optical random features☆12Mar 2, 2021Updated 5 years ago
- Suite for Analysis of Molecular Simulations☆11Mar 31, 2026Updated last week
- ☆11Apr 18, 2021Updated 4 years ago
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 5 months ago
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 9 years ago
- Code for the KDD 2021 paper 'Filtration Curves for Graph Representation'☆18Aug 8, 2023Updated 2 years ago
- ☆69May 11, 2022Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 3 years ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆76Oct 23, 2023Updated 2 years ago
- Mutual Information Neural Estimation (Pytorch)☆13Jun 29, 2020Updated 5 years ago
- A complete waste of time☆15Dec 11, 2022Updated 3 years ago
- Code for experiments to learn uncertainty☆30Mar 16, 2023Updated 3 years ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 8 months ago
- A repo for transferable sampling of molecular systems☆41Mar 27, 2026Updated 2 weeks ago