zxhuizhang Goto Github PK

auto-gpt

An experimental open-source attempt to make GPT-4 fully autonomous.

chewd

Code for visualizing residue wise distribution of binding energy

colabfold

Making Protein folding accessible to all!

covid19-docking

Docking of compounds against the SARS-CoV-2 protease structure

deeppurpose

A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening

dgraphdta

a novel DTA predition method using graph neural network

drug-repurposing-in-knime

An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data

fwavina

FWAVina is a kind of molecular docking tool, which was developed based on the framework of AutoDock Vina.

gcn

Implementation of Graph Convolutional Networks in TensorFlow

gmx_mmpbsa

gmx_MMPBSA is a new tool aid to perform end-state free energy calculations based on AMBER's MMPBSA.py with GROMACS files.

gnn-mtb2

GNN-MTB: An Anti-Mycobacterium Drug Virtual Screening Method based on Graph Neural Network

hexo

A fast, simple & powerful blog framework, powered by Node.js.

hob-pred-using-transfer-learning

janusilver

januszhanglab.girhub.io

test

localcolabfold

ColabFold on your local PC

oculardrugtoxicityprediction_research_practice

Devised a noble approach to predict the drug induced ocular toxicity based on their structural and physiochemical properties which defines their interaction with the transporters. Used several supervised machine learning algorithms to develop a model for the prediction of substrate specificity towards particular transporter. Achieved to get higher

sailvina

SailVina重构增强版

tcm-ancient-books

中医药古籍文本，近700项

tcmsp

code for TCMSP

thesis

tmprss2

Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors

tutorials

MolAICal Homepage

uni-dock

Uni-Dock: a GPU-accelerated molecular docking program

vp37-inhibitors-from-drugbank

vp37-of-monkeypox-virus

xvg_to_csv

Converts one or more XVG files to a combine CSV file

zxhuizhang.github.io