issues
search
RECETOX
/
RIAssigner
RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
MIT License
4
stars
6
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Move SimpleData and ValidateSimpleData classes to tests folder
#124
hechth
opened
1 month ago
0
test
#123
hechth
closed
1 month ago
0
Updated `_assign_ri_value` function
#122
zargham-ahmad
closed
2 months ago
1
Check why only larger than 0 RI values can be written to MSP files
#121
hechth
closed
2 months ago
0
Add the option to remove retention indices before initializing them from the comment
#120
hechth
closed
2 months ago
0
add flag for the extension in the write function
#119
zargham-ahmad
opened
3 months ago
0
Sanitize column names on data import
#118
wverastegui
closed
4 months ago
0
Update commandline interface to also allow reading ri from comment and to use click
#117
hechth
opened
5 months ago
0
Refactoring data reading and writing
#116
hechth
closed
5 months ago
0
Implement has_retention_indices and has_retention_times functions
#115
wverastegui
closed
5 months ago
0
Draft release 0.4
#114
hechth
closed
4 months ago
0
Implement `has_retention_indices` and `has_retention_times` functions.
#113
hechth
closed
5 months ago
0
Read RI values from comments field into RI field & added unit test
#112
wverastegui
closed
6 months ago
0
Fix version information and update pypi package
#111
hechth
closed
4 months ago
0
Handle MSP data without RT metadata
#110
wverastegui
closed
6 months ago
0
updated to poetry
#109
zargham-ahmad
closed
7 months ago
1
Handle data without RT information
#108
hechth
closed
6 months ago
0
Read RI values from comments field into RI field
#107
hechth
closed
6 months ago
0
Find a safe way to load and store models for RI prediction
#106
hechth
opened
7 months ago
1
Switch RIAssigner to poetry and update dependencies
#105
hechth
closed
7 months ago
0
Find method for RI prediction for different RI types on NIST and Wiley
#104
hechth
opened
7 months ago
0
Make RIAssigner compatible with alkane files from metabobank japan
#103
hechth
opened
8 months ago
0
Move bioconda recipe over to use the pypi package
#102
hechth
closed
4 months ago
3
How to create input data files for RIAssigner from public raw data repo
#101
kozo2
opened
9 months ago
2
Creating a Dockerfile for RIAssigner
#100
kozo2
closed
8 months ago
2
Simplify conda environment under Windows
#99
hechth
closed
7 months ago
0
Sanitize column names when reading data
#98
hechth
closed
4 months ago
3
Fix dependencies (pint and numpy)
#97
xtrojak
closed
1 year ago
0
Dependency issues (pint and numpy)
#96
xtrojak
closed
1 year ago
1
94 release
#95
hechth
closed
1 year ago
0
release 0.3.3 for archive
#94
hechth
closed
1 year ago
0
catch the rt_index being None
#93
martenson
closed
4 months ago
3
Create publish_pypi.yaml
#92
hechth
closed
2 years ago
0
replace non-test asserts with exceptions; lint
#91
martenson
closed
2 years ago
0
Updated matchms dependency and removed test cases with `None` retention times
#90
hechth
closed
2 years ago
0
[JOSS Review] Automated tests: some automated tests fail
#89
davidegraff
closed
2 years ago
1
[JOSS Review] Functionality documentation: linting/style
#88
davidegraff
closed
2 years ago
1
RIAssigner on main Galaxy toolshed
#87
yguitton
closed
2 years ago
2
Implement CI action to automate the release on PyPI
#86
hechth
closed
2 years ago
0
Consider switching to tox.ini to run tests
#85
cthoyt
opened
2 years ago
2
How to install from pip?
#84
cthoyt
closed
1 year ago
7
try codeql for riassigner
#83
martenson
closed
2 years ago
0
Implemented `SimpleData` class to provide simple computations
#82
hechth
closed
2 years ago
0
Implement `NumpyData` class to allow easy computations
#81
hechth
closed
2 years ago
0
Prepare for 0.3.2
#80
hechth
closed
2 years ago
0
JOSS paper: minor adjustments
#79
martenson
closed
2 years ago
1
Release v0.3.2
#78
hechth
closed
2 years ago
0
Refactored tests
#77
hechth
closed
2 years ago
0
Introduced scaling factor in Kovats computation to handle skipped alkanes
#76
hechth
closed
2 years ago
0
Error in Kovats RI computation
#75
hechth
closed
2 years ago
1
Next