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choderalab
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bayesian-itc
Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
GNU General Public License v3.0
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Simple model for a calibration
#43
bas-rustenburg
closed
9 years ago
5
Error for experiments without syringe concentration
#42
bas-rustenburg
opened
9 years ago
1
Removed leftover test.
#41
bas-rustenburg
closed
9 years ago
0
Modified baseline plotting
#40
bas-rustenburg
closed
9 years ago
1
Nose2 compatibility
#39
bas-rustenburg
closed
9 years ago
0
Update requirements.txt with nose
#38
bas-rustenburg
closed
9 years ago
0
Set up continuous integration on travis.
#37
bas-rustenburg
closed
9 years ago
1
Adding unit tests
#36
bas-rustenburg
closed
9 years ago
2
Python 3 compatibility.
#35
bas-rustenburg
closed
9 years ago
0
Added setup.py and updated requirements.
#34
bas-rustenburg
closed
9 years ago
0
Update README.md
#33
bas-rustenburg
closed
9 years ago
0
Updated README and requirements.
#32
bas-rustenburg
closed
9 years ago
0
Take injection heats from Experiment.
#31
bas-rustenburg
closed
9 years ago
0
Library remodel
#30
bas-rustenburg
closed
9 years ago
0
Added some notes from meeting.
#29
bas-rustenburg
closed
9 years ago
0
Allow inference on multiple experiments simultaneously
#28
jchodera
opened
9 years ago
0
Allow reference calibration files to be included, attached to either an Instrument or ExperimentSet?
#27
jchodera
opened
9 years ago
6
Set up documentation framework
#26
jchodera
opened
9 years ago
1
Integrate bitc/README.md into main README.md
#25
jchodera
closed
9 years ago
0
Create setup.py to install
#24
jchodera
closed
9 years ago
0
Removed old code, renamed python to BayesianITC
#23
bas-rustenburg
closed
9 years ago
0
[WIP] Added a gaussian process baseline fitting procedure.
#22
bas-rustenburg
closed
9 years ago
3
Made changes to the readme.
#21
bas-rustenburg
closed
9 years ago
1
Fix plots of enthalpogram
#20
bas-rustenburg
opened
9 years ago
2
Documentation strings
#19
bas-rustenburg
opened
9 years ago
2
Review parts of code
#18
bas-rustenburg
opened
9 years ago
2
Baseline fitting algorithm
#17
bas-rustenburg
opened
9 years ago
4
Fix the old report class, or implement a new one.
#16
bas-rustenburg
opened
9 years ago
1
Refactor example in `python/bayesianitc/models.py` to a test.
#15
bas-rustenburg
opened
9 years ago
0
Update readme with dependencies and basic instructions
#14
bas-rustenburg
closed
9 years ago
0
Fix CompetitiveBindingModel
#13
bas-rustenburg
closed
9 years ago
2
How to clean up various stacks of old code lying around
#12
bas-rustenburg
closed
9 years ago
5
Expose initial guesses and uncertainties in models.py through init function arguments
#11
bas-rustenburg
opened
9 years ago
5
Making ITC code faster
#10
pgrinaway
closed
9 years ago
8
Finite difference vs. autodiff?
#9
pgrinaway
closed
9 years ago
0
Use `pint`'s ureg.wraps decorator for better unit management
#8
bas-rustenburg
closed
9 years ago
1
Displacement volumes of iTC200 and Auto-iTC200
#7
bas-rustenburg
closed
9 years ago
4
[WIP] Refactor ITC code
#6
bas-rustenburg
closed
9 years ago
11
Naproxen experiments
#5
bas-rustenburg
closed
9 years ago
1
Add nose tests
#4
jchodera
opened
9 years ago
1
Add travis support
#3
jchodera
closed
9 years ago
3
Add Python 3 compatibility
#2
jchodera
closed
9 years ago
14
What determines initial log_sigma guess?
#1
bas-rustenburg
closed
9 years ago
8
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