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A generative model for programmable protein design

Python 743 102 Updated Apr 11, 2024

Because we don't have enough time to read everything

Python 88 10 Updated Sep 25, 2024

🍇 GRAPE is a Rust/Python Graph Representation Learning library for Predictions and Evaluations

Jupyter Notebook 595 38 Updated Feb 24, 2024

Paper list for equivariant neural network

1,040 107 Updated Aug 19, 2024

Message Passing Neural Networks for Molecule Property Prediction

Python 1,999 652 Updated Jun 25, 2025

A Rust implementation of MinHash trying to be parsimonious with memory.

Jupyter Notebook 6 1 Updated Oct 29, 2024

Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)

Python 191 23 Updated Sep 20, 2022

Official Repository for the Uni-Mol Series Methods

Python 889 141 Updated May 29, 2025
Python 160 41 Updated Mar 14, 2024

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Python 1,270 302 Updated May 2, 2025

Remote protein homology detection suite.

C 573 143 Updated Nov 8, 2024

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Python 3,037 607 Updated Apr 26, 2025

code for Graph Neural Networks for Link Prediction with Subgraph Sketching https://arxiv.org/abs/2209.15486

Python 96 18 Updated Dec 29, 2023

Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction

Python 38 7 Updated Apr 1, 2022

An open-source implementation of SEAL for link prediction in open graph benchmark (OGB) datasets.

Python 234 58 Updated Jun 24, 2023

Graph Neural PDEs

Jupyter Notebook 334 57 Updated Oct 20, 2022
Python 163 29 Updated Dec 8, 2022

Official implementation of Neural Bellman-Ford Networks (NeurIPS 2021)

Python 217 30 Updated Aug 2, 2023
Jupyter Notebook 2 Updated Mar 19, 2022

GraphCON (ICML 2022)

Python 59 9 Updated Sep 29, 2022

TensorFlow implementations of Graph Neural Networks

Python 1 Updated May 21, 2021

TGN: Temporal Graph Networks

Python 1,072 207 Updated May 28, 2024

Refining continuous-in-depth neural networks

Python 40 6 Updated Nov 14, 2021

Graph Neural Network Library for PyTorch

Python 22,526 3,835 Updated Jun 18, 2025

Base pretrained models and datasets in pytorch (MNIST, SVHN, CIFAR10, CIFAR100, STL10, AlexNet, VGG16, VGG19, ResNet, Inception, SqueezeNet)

Python 2,675 619 Updated Nov 22, 2022

predicting the occupation and income of Twitter users using graph embeddings

Jupyter Notebook 9 6 Updated Apr 11, 2018
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