An implementation of the Equivariant Graph Neural Network (EGNN) layer type for DGL-PyTorch.
☆15Dec 27, 2022Updated 3 years ago
Alternatives and similar repositories for EGNN-DGL
Users that are interested in EGNN-DGL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Final project for CS224W☆13Nov 7, 2022Updated 3 years ago
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆34Nov 8, 2024Updated last year
- ☆44Jan 16, 2026Updated 5 months ago
- Implementation of Tranception, an attention network, paired with retrieval, that is SOTA for protein fitness prediction☆32Jun 19, 2022Updated 4 years ago
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆20Jun 14, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆35Jun 29, 2024Updated 2 years ago
- This repository contains scripts, data and jupyter notebooks used to produce the evaluation results in the BioPhi 2021 publication☆17Jan 2, 2023Updated 3 years ago
- Unofficial implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch☆67Apr 7, 2025Updated last year
- ☆18Dec 5, 2025Updated 7 months ago
- ISMIR 2021: Curriculum Learning for Imbalanced Classification in Large Vocabulary Automatic Chord Recognition☆10Nov 8, 2021Updated 4 years ago
- G-K BertDTA is a research tool facilitating drug-target interaction prediction. Leveraging multi-modal data integration and advanced mach…☆13Nov 22, 2023Updated 2 years ago
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- A benchmark for comprehensive evaluation on protein structure tokenization methods☆56Aug 2, 2025Updated 11 months ago
- Antibody structure prediction☆37Dec 16, 2025Updated 6 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Binary Sentiment Analysis on Amazon Reviews by fine tuning pre trained XLNet☆14May 4, 2020Updated 6 years ago
- Awesome papers related to generative flow matching and its applications in bioinformatics. (Nature Machine Intelligence)☆43Apr 24, 2026Updated 2 months ago
- Lightweight framework for structured and repeatable model validation☆11Jan 8, 2026Updated 5 months ago
- The Polaris datasets and benchmarks recipes☆14May 26, 2025Updated last year
- This is the offical code of the paper "Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model"☆47Dec 12, 2025Updated 6 months ago
- Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorc…☆171Nov 25, 2022Updated 3 years ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆19Jul 16, 2025Updated 11 months ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Jun 17, 2026Updated 2 weeks ago
- Adding hydrogens to molecular models☆64Nov 24, 2025Updated 7 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆35Apr 23, 2026Updated 2 months ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆57Apr 18, 2022Updated 4 years ago
- Prose for a painting source code☆12Oct 8, 2019Updated 6 years ago
- CASP15 performance benchmarking of the state-of-the-art protein structure prediction methods☆16Dec 13, 2023Updated 2 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆28Nov 20, 2016Updated 9 years ago
- PlanT 2.0: Exposing Biases and Structural Flaws in Closed-Loop Driving☆51Apr 22, 2026Updated 2 months ago
- A Prot paper related materials☆11Sep 5, 2022Updated 3 years ago
- The matching routine for interologs identification based on co-evolution☆11Jul 17, 2018Updated 7 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆62Dec 16, 2025Updated 6 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆13Oct 15, 2023Updated 2 years ago
- 这是我的个人Latex模板,将会收录自己整理的关于作业、笔记、比赛、以及各种论文的Latex模板。同时会基于中国人民大学统计学院的学术规范,给出学校的论文和beamer模板。☆32May 22, 2026Updated last month
- Open Source Mycetoma's First Series of Molecules☆10Sep 22, 2025Updated 9 months ago
- Store some images, gifs, etc.☆13Oct 1, 2022Updated 3 years ago
- Per function, Lua JIT using LLVM C++ toolchain☆10Jun 8, 2017Updated 9 years ago
- Influence-Based Mini-Batching (IBMB), as proposed in "Influence-Based Mini-Batching for Graph Neural Networks" (LoG 2022)☆19Dec 21, 2022Updated 3 years ago
- The Concept Bottleneck Shift Detection (CBSD) methods for explaining and detecting various dataset shifts.☆14Jun 22, 2021Updated 5 years ago