ai4drug

Cell_ACDC

A Python GUI-based framework for segmentation, tracking and cell cycle annotations of microscopy data

celldetection

Scalable Instance Segmentation using PyTorch & PyTorch Lightning.

cellpose

a generalist algorithm for cellular segmentation with human-in-the-loop capabilities

Automatic-Identification-and-Counting-of-Blood-Cells

Machine learning approach of automatic identification and counting of blood cells (RBC, WBC, and Platelet) with KNN and IOU based verification.

PDBcov_Curation

DeepCoSI

DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.

Owl

Research Assistant

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

zhihu

This repo contains the source code in my personal column (https://zhuanlan.zhihu.com/zhaoyeyu), implemented using Python 3.6. Including Natural Language Processing and Computer Vision projects, such as text generation, machine translation, deep convolution GAN and other actual combat code.

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

ChineseNMT

ChineseNMT: Translate English to Chinese with PyTorch Implementation of Transformer

YakuYaku

翻译姬：致力于小众领域的机器翻译

rxno

Name Reaction Ontology

rxnfp

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

LLM4IR-Survey

This is the repo for the survey of LLM4IR.

QASystemOnMedicalKG

A tutorial and implement of disease centered Medical knowledge graph and qa system based on it。知识图谱构建，自动问答，基于kg的自动问答。以疾病为中心的一定规模医药领域知识图谱，并以该知识图谱完成自动问答与分析服务。

reaction_utils

Utilities for working with datasets of chemical reactions, reaction templates and template extraction.

QASystemOnMedicalKG

A tutorial and implement of disease centered Medical knowledge graph and qa system based on it。知识图谱构建，自动问答，基于kg的自动问答。以疾病为中心的一定规模医药领域知识图谱，并以该知识图谱完成自动问答与分析服务。

awesome-self-supervised-gnn

Papers about pretraining and self-supervised learning on Graph Neural Networks (GNN).

rdkit_summary

rdkit总结与实践

joyrl

An easier PyTorch deep reinforcement learning library.

hignn

Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"

FG-BERT

Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"

rl-tutorials

basic algorithms of reinforcement learning

RL-papers