KEPACO
Kernel Machines, Pattern Analysis and Computational Metabolomics - Research group at Aalto University
Espoo, Finland
Pinned Repositories
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.
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
gradKCCA
Implementations of gradKCCA
metaCCA-matlab
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.
pairwiseMKL
pairwiseMKL package
scca-hsic
MATLAB implementation of SCCA-HSIC
KEPACO's Repositories
aalto-ics-kepaco/molecular_classification
Structured output learning method for multilabel molecular activity classification problem.
aalto-ics-kepaco/onto-chem-compounds
Predicting the ontology of chemical compounds
aalto-ics-kepaco/kegg-reaction-graph-mapper
Extracts reaction graph .mol files from standard KEGG .mol files