aalto-ics-kepaco/msms_rt_ssvm aalto-ics-kepaco/msms_rt_ssvm

  • Stars
    star
    6
  • Rank 2,539,965 (Top 51 %)
  • Language
    Python
  • License
    MIT License
  • Created over 3 years ago
  • Updated about 2 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
aalto-ics-kepaco/msms_rt_ssvm
github

aalto-ics-kepaco

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

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.

More Repositories

1

fswatch-rsync

Watches and synchronizes a local folder with a remote folder via another server over ssh
Shell
56
star
2

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.
Python
26
star
3

cca-tutorial

Worked examples
MATLAB
16
star
4

gradKCCA

Implementations of gradKCCA
MATLAB
16
star
5

metaCCA-matlab

MATLAB
9
star
6

pairwiseMKL

pairwiseMKL package
Python
8
star
7

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
MAXScript
7
star
8

GO-LTR-prediction

Protein function prediction through latent tensor reconstruction
Python
5
star
9

scca-hsic

MATLAB implementation of SCCA-HSIC
MATLAB
4
star
10

retention_order_prediction

Code, Data and Results of the publication: "Liquid-Chromatography Retention Order Prediction for Metabolite Identification" by Bach et al. 2018
HTML
3
star
11

PPIprediction-w-IOKR-MKL

MATLAB
3
star
12

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.
Jupyter Notebook
3
star
13

fingerid

Molecular fingerprint prediction from MS/MS
MAXScript
2
star
14

PMFA

Principal Metabolic Flux Mode Analysis
MATLAB
2
star
15

primal_dual_scca

Implementation of the Primal-Dual Sparse Canonical Correlation Analysis
MATLAB
2
star
16

softALIGNF

ALIGNF+ (soft ALIGNF) python implementation.
Python
1
star
17

molecular_classification

Structured output learning method for multilabel molecular activity classification problem.
MATLAB
1
star
18

L2RTA

http://hongyusu.github.io/L2RTA/
MATLAB
1
star
19

MKC

Multi-view Kernel Completion
MATLAB
1
star
20

comboKR

comboKR for predicting drug combination response surfaces
Python
1
star
21

ComboLTR

Python
1
star