iomega/ms2query issues and pull requests

#155 - Stream results MS2Query

Issue - State: closed - Opened by niekdejonge over 2 years ago - 1 comment
Labels: code structure

#154 - Prevent memory issues ms2deepscore

Pull Request - State: closed - Opened by niekdejonge over 2 years ago

#153 - Create CleanSpectra class

Issue - State: open - Opened by niekdejonge over 2 years ago
Labels: code structure

#152 - Added k fold cross validation script

Pull Request - State: closed - Opened by niekdejonge over 2 years ago

#151 - reduce memory tanimoto

Pull Request - State: closed - Opened by niekdejonge over 2 years ago - 1 comment

#150 - Memory foodprint creating large tanimoto score files

Issue - State: closed - Opened by niekdejonge over 2 years ago - 12 comments

#149 - Improve library files creation

Pull Request - State: closed - Opened by niekdejonge over 2 years ago

#148 - Improve ease of use downloading library and running ms2query

Pull Request - State: closed - Opened by niekdejonge over 2 years ago - 1 comment

#147 - install issue on mac M1 chip

Issue - State: closed - Opened by guikool over 2 years ago - 2 comments

#146 - Improve library files creation

Pull Request - State: closed - Opened by niekdejonge over 2 years ago - 1 comment

#145 - Postive and Negative mode

Issue - State: closed - Opened by niekdejonge over 2 years ago - 1 comment

#144 - Create .sonarcloud.properties

Pull Request - State: closed - Opened by niekdejonge over 2 years ago

#143 - Create smaller sqlite file

Pull Request - State: closed - Opened by niekdejonge over 2 years ago - 1 comment

#142 - Create sqlite without spectrum

Pull Request - State: closed - Opened by niekdejonge over 2 years ago - 2 comments

#141 - upgrade existing GNPS MGF db with new spectra: is that possible ?

Issue - State: closed - Opened by thierrynieus over 2 years ago - 12 comments

#140 - Create Library Files python script - missing step

Issue - State: closed - Opened by justinjjvanderhooft almost 3 years ago - 10 comments

#139 - Compatibility issues with pickled matchms spectra

Issue - State: closed - Opened by florian-huber almost 3 years ago - 2 comments

#138 - add classes to sqlite?

Issue - State: closed - Opened by florian-huber almost 3 years ago - 2 comments

#137 - Benchmark cosine

Pull Request - State: closed - Opened by niekdejonge almost 3 years ago - 1 comment

#136 - Make compatible with new matchms versions

Issue - State: closed - Opened by niekdejonge almost 3 years ago - 2 comments

#135 - Change numbering spectra

Pull Request - State: closed - Opened by niekdejonge almost 3 years ago - 1 comment

#134 - Change numbering spectra MS2Query

Issue - State: closed - Opened by niekdejonge almost 3 years ago - 7 comments

#133 - change zenodo link with default library files

Pull Request - State: closed - Opened by niekdejonge almost 3 years ago - 1 comment

#132 - Running ms2query 0.3.0 leads to error

Issue - State: closed - Opened by sebabuel almost 3 years ago - 5 comments
Labels: bug

#131 - Create a light version of the sqlite file

Issue - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#130 - Remove and restructure unused code

Pull Request - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#129 - Make imports look more consistent

Issue - State: closed - Opened by florian-huber about 3 years ago

#128 - Add isort

Pull Request - State: closed - Opened by florian-huber about 3 years ago - 1 comment

#127 - switch to newer matchms and spec2vec versions

Pull Request - State: closed - Opened by florian-huber about 3 years ago - 1 comment

#126 - Add cosine to features

Pull Request - State: closed - Opened by niekdejonge about 3 years ago - 3 comments

#125 - Change tests from 9 features to 5 features

Issue - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#124 - test python version dependent pickle 5 install

Pull Request - State: closed - Opened by florian-huber about 3 years ago - 1 comment

#123 - Add logging and remove confusing warnings

Issue - State: closed - Opened by niekdejonge about 3 years ago - 2 comments

#122 - Automate workflow creating new dataset

Issue - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#121 - Clean up code by removing old not used functions

Issue - State: closed - Opened by niekdejonge about 3 years ago - 2 comments

#120 - Option to also return compound svg for web_app

Issue - State: closed - Opened by florian-huber about 3 years ago - 2 comments

#119 - Use random forest

Pull Request - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#118 - parent_mass -> precursor_mz and notebook re-run/update

Pull Request - State: closed - Opened by florian-huber about 3 years ago - 8 comments

#117 - add sonarcloud check

Issue - State: closed - Opened by florian-huber about 3 years ago - 2 comments

#116 - Add notebooks for cleaning GNPS dataset

Pull Request - State: closed - Opened by niekdejonge about 3 years ago - 1 comment

#115 - Apply changes in matchms

Issue - State: closed - Opened by niekdejonge about 3 years ago - 3 comments

#114 - Change run ms2query

Pull Request - State: closed - Opened by niekdejonge about 3 years ago - 3 comments

#113 - solved issues downloading zenodo

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#112 - create new release

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#111 - Create new release

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#110 - Add retention time to output

Issue - State: closed - Opened by niekdejonge over 3 years ago - 1 comment
Labels: user interface

#109 - Refactor ms2library

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#107 - Analyze case studies

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 2 comments

#106 - Check issue with pandas version

Issue - State: closed - Opened by florian-huber over 3 years ago - 4 comments

#100 - Change library search settings

Issue - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#95 - Added notebook for running random forest

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#94 - Structures and spectra for figures

Pull Request - State: closed - Opened by niekdejonge over 3 years ago - 1 comment

#88 - Add more process bars

Issue - State: closed - Opened by niekdejonge over 3 years ago - 3 comments
Labels: visual appearance

#79 - Add networking to new MS2Query version

Issue - State: closed - Opened by niekdejonge over 3 years ago - 1 comment
Labels: enhancement

#77 - Function that automatically downloads files from zenodo

Issue - State: closed - Opened by niekdejonge almost 4 years ago - 3 comments

#76 - re-evaluate storing Tanimoto scores

Issue - State: closed - Opened by florian-huber almost 4 years ago - 5 comments
Labels: computational performance

#71 - Construct mixture fingerprint

Issue - State: closed - Opened by florian-huber almost 4 years ago - 1 comment
Labels: enhancement

#70 - Check more recent gensim version

Issue - State: closed - Opened by florian-huber almost 4 years ago

#69 - Create a class for sqlite database

Issue - State: closed - Opened by niekdejonge almost 4 years ago - 1 comment
Labels: code structure

#68 - Find suitable temporary storage type that can be opened in mmap_mode by numpy.

Issue - State: closed - Opened by niekdejonge almost 4 years ago - 1 comment
Labels: storage

#67 - Choose different storage type for pickle

Issue - State: closed - Opened by niekdejonge almost 4 years ago - 5 comments
Labels: storage

#66 - Create ms2query model object

Issue - State: open - Opened by niekdejonge almost 4 years ago
Labels: code structure

#63 - Change creating sqlite file function

Issue - State: closed - Opened by niekdejonge almost 4 years ago - 5 comments
Labels: enhancement

#57 - Test lookup speed sqlite database

Issue - State: closed - Opened by niekdejonge about 4 years ago - 1 comment

#54 - Compare different database/storage alternatives

Issue - State: closed - Opened by florian-huber about 4 years ago

#47 - Add a button to download the results table

Issue - State: closed - Opened by louwenjjr about 4 years ago - 1 comment
Labels: enhancement

#45 - Sometimes all streamlit widgets get reset when adjusting a widget inside another widget

Issue - State: closed - Opened by louwenjjr about 4 years ago - 3 comments
Labels: user interface

#39 - Extend readme

Issue - State: closed - Opened by florian-huber about 4 years ago
Labels: documentation

#34 - Create embedded javascript networking plot

Issue - State: closed - Opened by florian-huber about 4 years ago - 1 comment
Labels: visual appearance, user interface

#27 - Add Changelog (e.g. when building first pip package)

Issue - State: closed - Opened by florian-huber about 4 years ago

#26 - Add to Research Software Directory

Issue - State: closed - Opened by florian-huber about 4 years ago

GitHub / iomega/ms2query issues and pull requests