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Le Yuan's Projects

bayesiangem icon bayesiangem

This repository contains code and data needed to replicate the analysis carried out in the manuscript Li G, et al. 2020.

cameo icon cameo

cameo - computer aided metabolic engineering & optimization

carveme_paper icon carveme_paper

Data and scripts for the paper "Fast automated reconstruction of genome-scale metabolic models for microbial species and communities"

cobrame icon cobrame

COBRA Toolbox for genome-scale models of metabolism and expression (ME-models)

cobrapy icon cobrapy

COBRApy is a package for constraint-based modeling of biological networks

cpi_prediction icon cpi_prediction

This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.

d2l-zh icon d2l-zh

《动手学深度学习》:面向中文读者、能运行、可讨论。英文版即伯克利“深度学习导论”教材。

dleps icon dleps

A Deep Learning based Efficacy Prediction System for drug discovery

findpc icon findpc

findPC: Automatic selection of number of principal components

hgtphylodetect icon hgtphylodetect

HGTphyloDetect is a versatile toolbox to identify horizontal gene transfer (HGT) events combined with phylogenetic analysis.

human-gem icon human-gem

The generic genome-scale metabolic model of Homo sapiens

interpretablemlbook icon interpretablemlbook

《可解释的机器学习--黑盒模型可解释性理解指南》,该书为《Interpretable Machine Learning》中文版

metachip icon metachip

Horizontal gene transfer (HGT) identification pipeline

moleculargnn_smiles icon moleculargnn_smiles

The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.

pecanpy icon pecanpy

A fast, parallelized, memory efficient, and cache-optimized Python implementation of node2vec

pytfa icon pytfa

A Python 3 implementation of Thermodynamics-based Flux Analysis

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