issues
search
choderalab
/
bayesian-itc
Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
GNU General Public License v3.0
5
stars
10
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
How to use this
#93
KITkiyokiyo
opened
2 years ago
0
How to use this software
#92
KITkiyokiyo
closed
2 years ago
0
Removed travis CI config file
#91
mikemhenry
closed
2 years ago
0
Constants.absolute_zero is not defined
#90
louisacw
opened
3 years ago
0
proposed bug fix for append syntax
#89
rediaz111
opened
3 years ago
1
Add mode for using raw compound stock without dilution
#88
jchodera
opened
4 years ago
0
Update APIs; add PEAQ Auto ITC test data
#87
jchodera
opened
4 years ago
2
pyplot.hold() has been deprecated
#86
jchodera
opened
4 years ago
0
Update scikit-learn gaussian process API
#85
jchodera
opened
4 years ago
0
Update to MolSSI cookiecutter
#84
jchodera
opened
4 years ago
0
Rename package to bayesitc
#83
bas-rustenburg
closed
6 years ago
0
Fixing travis
#82
bas-rustenburg
closed
6 years ago
1
Failing travis builds
#81
jchodera
closed
6 years ago
2
Relicense as MIT License
#80
jchodera
opened
6 years ago
2
Rework travis-ci for current conda infrastructure
#79
jchodera
opened
6 years ago
3
Change package name to bayesitc?
#78
jchodera
closed
6 years ago
0
Cut release of version we use for manuscript
#77
jchodera
opened
6 years ago
0
Allow for specification of concentrations
#76
bas-rustenburg
closed
7 years ago
1
Expose stated concentrations as command-line arguments
#75
jchodera
opened
7 years ago
0
Allow for subtracting ligand-buffer heats
#74
bas-rustenburg
opened
7 years ago
3
Code cleanup and fixes
#73
bas-rustenburg
closed
7 years ago
2
Fix builds
#72
bas-rustenburg
closed
7 years ago
2
Remove asterisks from file names.
#71
bas-rustenburg
closed
8 years ago
0
Fix travis builds
#70
bas-rustenburg
closed
8 years ago
0
RacemicMixtureBindingModel and Data
#69
daveminh
opened
9 years ago
0
Domain name
#68
jchodera
opened
9 years ago
0
[WIP] Manuscript updates
#67
jchodera
closed
6 years ago
0
Have setup.py install bitc_util.py as a script?
#66
jchodera
opened
9 years ago
0
Added annotation of ITC datasets in repo
#65
jchodera
closed
6 years ago
0
Fixed import issue in doctest
#64
jchodera
closed
9 years ago
1
Doctest failure?
#63
jchodera
closed
9 years ago
6
Get rid of dilution factor d in heat models
#62
jchodera
opened
9 years ago
0
Add a global option for binding models to select titrant mixing model
#61
jchodera
opened
9 years ago
0
Think about how to tell bitc which solutions have exactly same concentration and which have independent concentration errors
#60
jchodera
opened
9 years ago
0
Implement significant digits on output in bitc_util.py
#59
bas-rustenburg
opened
9 years ago
0
bitc_util.py not writing out all statistics
#58
bas-rustenburg
opened
9 years ago
9
Calibration models
#57
bas-rustenburg
closed
6 years ago
79
Solve the ODE in cython
#56
bas-rustenburg
closed
7 years ago
3
Combined Metropolis, RescalingStep samplers.
#55
bas-rustenburg
closed
9 years ago
4
What step method should be we using?
#54
bas-rustenburg
opened
9 years ago
8
[Suggestion] Some code remodelling to improve modularity and readability
#53
bas-rustenburg
closed
9 years ago
8
Double/triple check the input and output units for expected_injection_heats
#52
bas-rustenburg
closed
9 years ago
1
Update parser.py
#51
bas-rustenburg
closed
9 years ago
0
Seriously improved performance of CompetitiveBindingModel.
#50
bas-rustenburg
closed
9 years ago
5
[WIP] Optimizing the CompetitiveBindingModel
#49
bas-rustenburg
closed
9 years ago
1
Optimize CompetitiveBindingModel
#48
bas-rustenburg
opened
9 years ago
12
Reimplement broken command-line options
#47
bas-rustenburg
opened
9 years ago
0
[WIP] Fixing the competitive binding model
#46
bas-rustenburg
closed
9 years ago
6
Adding RacemicMixtureBindingModel
#45
daveminh
closed
9 years ago
2
Added analysis results for old sampl4 measurements.
#44
bas-rustenburg
closed
9 years ago
2
Next