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cca-tutorial

Worked examples

combofm

Machine learning framework for predicting the responses of drug combinations in pre-clinical studies, such as those based on cell lines or patient-derived cells.

combokr

comboKR for predicting drug combination response surfaces

comboltr

deepbiosphere

efficient-discovery-of-genome-scale-metabolic-pathways-for-synthetic-biology

fingerid

Molecular fingerprint prediction from MS/MS

fswatch-rsync

Watches and synchronizes a local folder with a remote folder via another server over ssh

go-ltr-prediction

Protein function prediction through latent tensor reconstruction

go_ltr

LTR Multiview for Gene Ontology prediction

gradkcca

Implementations of gradKCCA

iokr_for_metabolite_identification

Repository for the IOKR and MP-IOKR adapted to the metabolite identification problem.

kegg-reaction-graph-mapper

Extracts reaction graph .mol files from standard KEGG .mol files

l2rta

http://hongyusu.github.io/L2RTA/

lcms2struct_exp

Scripts to run the experiments and analysis for the publication "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data" by Bach et al.

ltr_multiview

Polynomial Regression via Latent Tensor Reconstruction - Multiview version

metacca-matlab

mkc

Multi-view Kernel Completion

mkc_software

molecular_classification

Structured output learning method for multilabel molecular activity classification problem.

msms_rt_score_integration

Code, Data and Results of the publication: "Probabilistic Framework for Integration of Tandem-Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. 2020

msms_rt_ssvm

Implementation of the LC-MS²Struct model published in the manuscript "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data" by Bach et al.

onto-chem-compounds

Predicting the ontology of chemical compounds

pairwisemkl

pairwiseMKL package

pmfa

Principal Metabolic Flux Mode Analysis

ppiprediction-w-iokr-mkl

primal_dual_scca

Implementation of the Primal-Dual Sparse Canonical Correlation Analysis

projse

Supervised variables selection by projection operators in kernel space

proteinfunctionprediction

retention_order_prediction

Code, Data and Results of the publication: "Liquid-Chromatography Retention Order Prediction for Metabolite Identification" by Bach et al. 2018