bachi55
Doctoral student in the field of Machine Learning, Bioinformatics and Computational Metabolomics.
Elisa OyjHelsinki, Finnland
Pinned Repositories
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.
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.
BCFWstruct
Block-Coordinate Frank-Wolfe Optimization for Structural SVMs
cached_lfs_with_gh_actions
cdk
The Chemistry Development Kit
local_pubchem_db
Build a local SQLite database from the PubChem compound database
massbank2db
Build a local SQLite Database from Massbank.
Metabolomics2021_Poster
rosvm
Retention Order Support Vector Machine (ROSVM)
bachi55's Repositories
bachi55/local_pubchem_db
Build a local SQLite database from the PubChem compound database
bachi55/massbank2db
Build a local SQLite Database from Massbank.
bachi55/rosvm
Retention Order Support Vector Machine (ROSVM)
bachi55/Metabolomics2021_Poster
bachi55/cached_lfs_with_gh_actions
bachi55/cdk
The Chemistry Development Kit
bachi55/data-science-on-gcp
Source code accompanying book: Data Science on the Google Cloud Platform, Valliappa Lakshmanan, O'Reilly 2017
bachi55/ECCB2018_presentation
My presentation of our paper "Liquid-chromatography retention order prediction for metabolite identification" at the ECCB 2018 in Athens.
bachi55/feature-engineering-for-time-series-forecasting
bachi55/fprinter
bachi55/GPSig
Bayesian Learning from Sequential Data using Gaussian Processes with Signature Covariances
bachi55/LPMP
Solving LPs with convergent message passing
bachi55/lumen
Interactive web application for the exploration, comparision and validation of probability models and its data
bachi55/MassBank-data
bachi55/MassBank-statistics
bachi55/massbank2db_FILES
bachi55/massbank_for_ML
Massbank records prepared for machine learning.
bachi55/matchms
Python library for fuzzy comparison of mass spectrum data and other Python objects
bachi55/modelbase
A SQL-like interface for python and the web to query probabilistic machine learning models and its data.
bachi55/msp2db
Convert MSP files into a database
bachi55/nlp-course
Own solutions to exercises for the Udemy course "Machine Learning: Natural Language Processing in Python (V2)".
bachi55/opengm
A C++ Library for Discrete Graphical Models
bachi55/rcdkTools
Wrapper functions for the rcdk-library.
bachi55/rt_prediction_mkl
bachi55/RtPredTrainingData
This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics
bachi55/slurm2sql
Dump slurm accounting database to sqlite3 database for easy analysis
bachi55/spec2vec_gnps_data_analysis
Analysis and benchmarking of mass spectra similarity measures using gnps data set.
bachi55/test_slurm_jop_dependencies
bachi55/training-data-analyst
Labs and demos for courses for GCP Training (http://cloud.google.com/training).
bachi55/transferlearning
Everything about Transfer Learning and Domain Adaptation--迁移学习