Janusilver's repositories
ColabFold
Making Protein folding accessible to all!
localcolabfold
ColabFold on your local PC
Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
Auto-GPT
An experimental open-source attempt to make GPT-4 fully autonomous.
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.
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
tutorials
MolAICal Homepage
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.
Drug-Repurposing-in-KNIME
An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
tmprss2
Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors
DeepPurpose
A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening
xvg_to_csv
Converts one or more XVG files to a combine CSV file
TCMSP
code for TCMSP
DGraphDTA
a novel DTA predition method using graph neural network
SailVina
SailVina重构增强版
covid19-docking
Docking of compounds against the SARS-CoV-2 protease structure
gcn
Implementation of Graph Convolutional Networks in TensorFlow
FWAVina
FWAVina is a kind of molecular docking tool, which was developed based on the framework of AutoDock Vina.
CHEWD
Code for visualizing residue wise distribution of binding energy
TCM-Ancient-Books
中医药古籍文本，近700项