Iayce

admet_ai

Training and prediction scripts for Chemprop models trained on ADMET datasets

AI-Drug-Discovery-Design

AI drug design

BioAct-Het

Heterogeneous siamese neural network for bioactivity prediction using novel bioactivity representation

Uni-Mol

Official Repository for the Uni-Mol Series Methods

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)

DIG

A library for graph deep learning research

self-llm

《开源大模型食用指南》基于Linux环境快速部署开源大模型，更适合**宝宝的部署教程

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

awesome-deepseek-integration

MachineLearning

Machine learning resources

100-Days-Of-ML-Code

100-Days-Of-ML-Code中文版

ShiArthur03

aifh

Artificial Intelligence for Humans

DRKG

A knowledge graph and a set of tools for drug repurposing

gnn-model-explainer

gnn explainer

TuckER

TuckER: Tensor Factorization for Knowledge Graph Completion

drugbank-downloader

Don't worry about DrugBank licensing - write code that knows how to download it automatically

opioid-repurposing

GREP

GREP: Genome for REPositioning drugs

repoDB

A Standard Database for Drug Repositioning

DrugRep-KG

Drug Repositioning Prediction using Knowledge Graph Embedding

lincs-workshop-2020

CMap Notebooks for LINCS 2020 Workshop

standigmProject

hetnetpy

Hetnets in Python (relocated from dhimmel/hetio)

GPT4_AD_Drug_Repurposing

drug-repurposing-covid19

Machine learning framework to systematicall downselect drugs from a set of FDA/TGA approved candidates for COVID-19 drug repurposing

DrugCell

A visible neural network model for drug response prediction

2021-review-journalism-communication-lda

运用LDA模型对WOS文献数据进行主题聚类，用于2021年度国际新闻传播学文献综述

Hitomi-Downloader

:cake: Desktop utility to download images/videos/music/text from various websites, and more.

ServoSDK