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3dgt-ddi

antibiotic

Reproducing results from "A Deep Learning Approach to Antibiotic Discovery"

attentivefp

GNN for drug discovery

autoliterature

autoLiterature是一个基于Python的自动文献管理命令行工具

bertgcn

bimodal

Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).

brivl-nmi

towards artificial general intelligence via a multimodal foundation model

ccst

Cell clustering for spatial transcriptomics data with graph neural network

chemprop

Message Passing Neural Networks for Molecule Property Prediction

class-notes

全部算法课讲解知识点提纲、题目汇总、PPT合集、学前必读、学习规划

colabfold

Making Protein folding accessible to all!

constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

cs-baoyan

计算机保研交流群（QQ群号：605176069）

decorr

[KDD 2022] Implementation of "Feature Overcorrelation in Deep Graph Neural Networks: A New Perspective"

deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

dmcg

download

极光官方版本下载页 翻墙 代理 科学上网 外网 加速器 梯子 路由

eagcn

Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling

esp32-ble-keyboard

Bluetooth LE Keyboard library for the ESP32 (Arduino IDE compatible)

frank

一款全新的英雄联盟(LOL)助手软件.............. A bran-new League of Legends assistant software, a replacement for WeGame.

glam

Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".

graphdta

GraphDTA: Predicting drug-target binding affinity with graph neural networks

graphembedding

Implementation and experiments of graph embedding algorithms.

graphmae

GraphMAE: Self-supervised Masked Graph Autoencoders

graphmvp

graphneuralnetwork

《深入浅出图神经网络：GNN原理解析》配套代码

graphppis

graphsite

GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures

graphx-conv

Official implementation of GraphX-Convolution