github.com/OpenMS/OpenMS issues | Ecosyste.ms: OpenCollective

add additional wrapper and fix test

timosachsenberg opened this pull request about 1 month ago

[DOC] Include common CMake flags documentation as doxygen

pjones opened this pull request about 1 month ago

View changes between NuXL branch and develop

timosachsenberg opened this pull request about 1 month ago

Bump src/pyOpenMS/pyopenms-docs from `63fdab2` to `c9b8e09`

dependabot[bot] opened this pull request about 1 month ago

Pyopenms aaseq

jcharkow opened this pull request about 1 month ago

Pre 3.3 fixes

poshul opened this pull request about 1 month ago

enable ms1 code

timosachsenberg opened this pull request about 1 month ago

question: role of disabled SWATH code

timosachsenberg opened this issue about 1 month ago

Merge to build wheels

poshul opened this pull request about 1 month ago

add trivial devcontainer config

poshul opened this pull request about 1 month ago

Bump src/pyOpenMS/pyopenms-docs from `63fdab2` to `5c5dfc1`

dependabot[bot] opened this pull request about 2 months ago

[refactor] removed legacy SWATH chromatogram extraction code

timosachsenberg opened this pull request about 2 months ago

revert small change in MSstatsFile.cpp

timosachsenberg opened this pull request about 2 months ago

Test changes from 3.2

poshul opened this pull request about 2 months ago

Setting up local runners for GHA

poshul opened this issue about 2 months ago

fix some warnings

jpfeuffer opened this pull request about 2 months ago

Wheels not getting built with OpenMP

poshul opened this issue about 2 months ago

shorten test macros for faster compile; add support for strongly typed enums in TEST_NOT_EQUAL

cbielow opened this pull request about 2 months ago

Looks good! This is a much more pythonic way of initiating the object.

poshul opened this issue about 2 months ago

more convenient constructor for AASequence in Python

timosachsenberg opened this pull request about 2 months ago

fix test_equal code (allow comparison of enums)

timosachsenberg opened this pull request about 2 months ago

fix warning in DatabaseFilter.cpp

timosachsenberg opened this pull request about 2 months ago

Wrap static AASequence::fromString() for easier use in python

timosachsenberg opened this issue about 2 months ago

test: update tests for MRMTransitionGroup

jcharkow opened this pull request about 2 months ago

improve file list comparison

timosachsenberg opened this pull request about 2 months ago

Non-fatal errors in comet

timosachsenberg opened this issue about 2 months ago

added annotate_features param in Deisotoper.cpp

anamaria-uofg opened this pull request about 2 months ago

Enhancements and code simplifications in various files

timosachsenberg opened this pull request about 2 months ago

NASequence.fromString phosphothiolate

Scott1451 opened this issue about 2 months ago

Epifany score error

prvst opened this issue about 2 months ago

Correctly do the unit tests in pyopenms-wheels

poshul opened this pull request about 2 months ago

Add check for pandas in cmake

poshul opened this pull request about 2 months ago

INI/CTD files: double NAN's as 'NaN'

cbielow opened this pull request about 2 months ago

contrib release broken on windows

timosachsenberg opened this issue about 2 months ago

Upgrade numpy in pyopenms

uweschmitt opened this issue about 2 months ago

Bugs for 3.2.1

poshul opened this issue about 2 months ago

Revisit boost serialization bugs

jpfeuffer opened this issue about 2 months ago

Improve flexibility of experimental design matching in PLFQ

jpfeuffer opened this issue about 2 months ago

additional convenience functions for MSExperiment

timosachsenberg opened this pull request about 2 months ago

Add support for TMT-32 and 35-plex?

jpfeuffer opened this issue about 2 months ago

Fast peak extraction from MSExperiments

timosachsenberg opened this pull request about 2 months ago

MzTab: preallocate enough memory instead of allocating in the loops

timosachsenberg opened this pull request about 2 months ago

OpenMS does not compile when using GLPK (instead of COINOR)

cbielow opened this pull request about 2 months ago

Cmake fix

cbielow opened this pull request 2 months ago

add quick check for almost certain out of memory error

timosachsenberg opened this pull request 2 months ago

KNIME nodes that have NAN for double parameter are broken

timosachsenberg opened this issue 2 months ago

fix KNIME categories

timosachsenberg opened this pull request 2 months ago

Categorize branch

timosachsenberg opened this pull request 2 months ago

Update containerdeploy.yml to match Release/

poshul opened this pull request 2 months ago

fix for CI on mac x86

poshul opened this pull request 2 months ago

expose eigen downstream

timosachsenberg opened this pull request 2 months ago

make setup.py check for AVX support

poshul opened this pull request 2 months ago

Fix remove old pyds

poshul opened this pull request 2 months ago

Update pyopenms-wheels.yml

poshul opened this pull request 2 months ago

PyOpenMS 3.2.0 build fails on bioconda due to Eigen3 not found

jonasscheid opened this issue 2 months ago

FLASHDeconv msAlign Export

jgpavek opened this issue 3 months ago

Decoy phosho added to unimod.xml

ypriverol opened this pull request 3 months ago

Release/3.2.0

poshul opened this pull request 3 months ago

Updates unimod and adds back custom mods

timosachsenberg opened this pull request 3 months ago

better variable names

timosachsenberg opened this pull request 3 months ago

Wheel action tries to delete wrong libraries

jpfeuffer opened this issue 3 months ago

Python wheels still/again packaging dlls for multiple versions

jpfeuffer opened this issue 3 months ago

Update unimod.xml and unimod.obo to "12:08:2024 11:33"

fcyu opened this pull request 3 months ago

merge back changes from release branch

timosachsenberg opened this pull request 3 months ago

Retention Time Correction

LeonSaal opened this issue 3 months ago

Untargeted Metabolomics for Direct Injection

felipe-mansoldo opened this issue 3 months ago

Updated for loop

sa-shaheer-ali opened this pull request 3 months ago

add isobaric correction defaults for tmt6plex and 11plex

timosachsenberg opened this pull request 3 months ago

ImportError with pyOpenMS version 3.2.0 on Windows when PyArrow was imported

RalfG opened this issue 3 months ago

fix scan number extraction for merged spectra

t0mdavid-m opened this pull request 3 months ago

DONT MERGE Pr 7577

timosachsenberg opened this pull request 3 months ago

updating CometAdapter with new parameters

MaLLLiYA opened this pull request 3 months ago

Can't store peptide identification with spectrum to mzml file using pyopenms 3.1.0

grimace9527 opened this issue 3 months ago

Update FeatureMap.pxd

timosachsenberg opened this pull request 3 months ago

FeatureFinderMetabo: param to toggle reporting smoothed intensities

rickhelmus opened this pull request 3 months ago

Bump src/pyOpenMS/pyopenms-docs from `9875a9e` to `63fdab2`

dependabot[bot] opened this pull request 3 months ago

Update COMET to the latest version

MaLLLiYA opened this issue 3 months ago

OpenMS 3.2 Dockerfiles

prvst opened this issue 3 months ago

update citation info to OpenMS 3 for GUI apps

cbielow opened this pull request 3 months ago

Merge latest release into develop

github-actions[bot] opened this pull request 3 months ago

[ByGHAction] Updated OpenMS package version numbers

github-actions[bot] opened this pull request 3 months ago

Update/OpenSwathWorkflow IonMobilityScoring Mobilogram Datastructure

singjc opened this pull request 3 months ago

Bump THIRDPARTY from `d6594eb` to `6c4aff6`

dependabot[bot] opened this pull request 3 months ago

TOPPView: open idXML in same layer as underlying data, if raw mzML is detected …

cbielow opened this pull request 3 months ago

Defining more enzymes in OpenMS Comet and SAGE adaptor

MaLLLiYA opened this pull request 3 months ago

FragmentIndex search engine

timosachsenberg opened this pull request 3 months ago

FR: report non-smoothed intensities with FFM

rickhelmus opened this issue 3 months ago

Bottom up fiid [do not merge]

timosachsenberg opened this pull request 3 months ago

Update openms_ci_matrix_full.yml

poshul opened this pull request 3 months ago

Parse IM in CometAdapter

jonasscheid opened this issue 4 months ago

Bump src/pyOpenMS/pyopenms-docs from `7628c88` to `63fdab2`

dependabot[bot] opened this pull request 4 months ago

Updating SageAdapter with new functionality + compatibility with new Sage versions

JohannesvKL opened this pull request 4 months ago

fix broken link in pyOpenMS docs

cbielow opened this pull request 4 months ago

update Windows release notes

cbielow opened this pull request 4 months ago

libsvm cmake configuration errors on mac

timosachsenberg opened this issue 4 months ago

fix MSIP part in KNIME

timosachsenberg opened this pull request 4 months ago

KNIME overwrite mime type error

timosachsenberg opened this issue 4 months ago

Copyright questions for files outside of OpenMS

lopippo opened this issue 4 months ago

The tutorial binaries are not installed ?

lopippo opened this issue 4 months ago

Support vcpkg automatic build

AHzhangwen opened this issue 4 months ago