pulimeng/Featured-Graph-Informatics

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Python
License
GNU General Publi...
Created over 4 years ago
Updated over 4 years ago

pulimeng/Featured-Graph-Informatics

pulimeng

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Calculations of graph informatics (mainly entropy) for graphs with features to evaluate the results of graph reduction

DeepDrug3D

A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.

eToxPred

A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.

CancerOmicsNet

A Graph Neural Network Model for prediction of the effectiveness of a drug on a given cancer cell lines

3D-deep-learning

Biology-Network-Reduction

Graph representation for system biology networks and the reduction of them for machine learning purposes

Useful_GNN_models

Some useful GNN models

PocketCaptioning