YS-arch

BertGCN

constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

GraphPPIS

GraphSite

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

KG-MTL

Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"

Knowledge-based-BERT

K-BERT for molecular property prediction.

MGA

MGA

Molecular-graph-BERT

semi-supervised learning for molecular property prediction

peptide_half_life_prediction

code for prediction of peptide half-life

SMILES-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

YS-arch/KG-MTL

Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"

YS-arch/peptide_half_life_prediction

code for prediction of peptide half-life

YS-arch/autoLiterature

autoLiterature是一个基于Python的自动文献管理命令行工具

YS-arch/brivl-nmi

towards artificial general intelligence via a multimodal foundation model

YS-arch/CCST

Cell clustering for spatial transcriptomics data with graph neural network

YS-arch/chemprop

Message Passing Neural Networks for Molecule Property Prediction

YS-arch/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

YS-arch/ColabFold

Making Protein folding accessible to all!

YS-arch/DeCorr

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

YS-arch/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

YS-arch/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.

YS-arch/GLAM

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

YS-arch/GraphEmbedding

Implementation and experiments of graph embedding algorithms.

YS-arch/GraphMAE

GraphMAE: Self-supervised Masked Graph Autoencoders

YS-arch/GraphMVP

YS-arch/HM-GNN

Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"

YS-arch/InfinityGauntlet

响指开关灯

YS-arch/MINN-DTI

Effective drug-target interaction prediction with mutual interaction neural network

YS-arch/openfold

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

YS-arch/paper-reading

深度学习经典、新论文逐段精读

YS-arch/protein_bert

YS-arch/ProteinMPNN

Code for the ProteinMPNN paper

YS-arch/PyBioMed

machine learning, molecular descriptor

YS-arch/Reinvent

de novo molecular design with curriculum learning

YS-arch/RetroTRAE

Retrosynthetic prediction with Atom Environments

YS-arch/ScanNet

interpretable model for structure-based protein binding site prediction

YS-arch/TransEPI

Codes and datasets of TransEPI

YS-arch/tuning_playbook

A playbook for systematically maximizing the performance of deep learning models.

YS-arch/VideoTogether

Watch video together on any platform / 一起看视频，兼容所有平台

YS-arch/zihao_course

同济子豪兄的公开课