zhentg

GShare

Collaboration and sharing will make our research better!

MONN

MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

zhentg.github.io

My GitHub site

annotator

Annotation tools for the web. Select text, images, or (nearly) anything else, and add your notes.

ChemBench

this repo is a supplementary for the MoleculeNet benchmark dataset splitting

chinese-poetry

The most comprehensive database of Chinese poetry 🧶最全中华古诗词数据库, 唐宋两朝近一万四千古诗人, 接近5.5万首唐诗加26万宋诗. 两宋时期1564位词人，21050首词。

co-folding-Umol

Protein-ligand structure prediction

Conformer-Geometry

DP4-AI

Python workflow for DP4 analysis of organic molecules

models

Trained caffe models

Pymol-script-repo

Collected scripts for Pymol

Python-100-Days

Python - 100天从新手到大师

ragflow

RAGFlow is an open-source RAG (Retrieval-Augmented Generation) engine based on deep document understanding.

rdkit

The official sources for the RDKit library

rdkit-scripts

A collection of cheminformatics scripts that use rdkit

scoringByNN

repository of references related to the scoring function and neural network application

SECSE

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

TrWebOCR

开源易用的中文离线OCR，识别率媲美大厂，并且提供了易用的web页面及web的接口，方便人类日常工作使用或者其他程序来调用~

VFVS

VirtualFlow for Virtual Screening

waterkit

Tool to predict water molecules placement and energy in ligand binding sites