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choderalab
/
itctools
Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.
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Removed travis CI config file
#70
mikemhenry
closed
2 years ago
0
Fix documentation
#69
apayne97
opened
4 years ago
1
Don't let syringe scale factor be > 0
#68
jchodera
opened
4 years ago
0
Convert to OpenTrons or Autoprotocol API?
#67
jchodera
opened
4 years ago
0
Don't hard-code cell volume to 400 uL
#66
jchodera
opened
4 years ago
0
Add tests for worklist generation
#65
jchodera
opened
4 years ago
0
Track buffer names using solution name instead of labware name
#64
jchodera
opened
4 years ago
0
Add support for Oak Ridge centrifuge tubes to hold protein
#63
jchodera
opened
4 years ago
0
Add automated checks that volumes for LiHa and aLiHa are within precise range
#62
jchodera
opened
4 years ago
0
Allow SimpleSolution to specify concentration and volume as am alternative to mass in mass
#61
jchodera
opened
4 years ago
0
Change waste output to total mass
#60
jchodera
opened
4 years ago
0
ITC Spreadsheet Needs to be in `.csv`
#59
egoldber
opened
4 years ago
0
Add CBS:CAII experiment
#58
jchodera
closed
4 years ago
7
added an example for automated high dynamic range scanning
#57
yuanqing-wang
closed
5 years ago
0
added automated high dynamic range, updated output format
#56
yuanqing-wang
opened
5 years ago
0
Update README.md
#55
bas-rustenburg
closed
8 years ago
0
Update README.md
#54
bas-rustenburg
closed
8 years ago
0
Enforce units on cell and injection volumes
#53
bas-rustenburg
opened
9 years ago
0
Make HSA a working example.
#52
bas-rustenburg
closed
9 years ago
2
Update README.md
#51
bas-rustenburg
closed
9 years ago
2
Some experiments use 400 uL in syringe well instead of 120 uL
#50
jchodera
opened
9 years ago
0
Perfusion model for simulation
#49
bas-rustenburg
opened
9 years ago
4
Have optimal Rm be minimally 1.1
#48
jchodera
closed
9 years ago
2
Fix heat of mixing and hsa examples that were broken in #46
#47
bas-rustenburg
opened
9 years ago
0
Simulation of experiment, Rm estimation, major API changes
#46
bas-rustenburg
closed
9 years ago
3
Set up conda recipe
#45
jchodera
opened
9 years ago
1
Implicit concentrations specified but not shown in xlsx
#44
bas-rustenburg
opened
9 years ago
0
Made worklist_line static.
#43
bas-rustenburg
closed
9 years ago
0
Made mixture worklist more modular.
#42
bas-rustenburg
closed
9 years ago
0
Fixed bug with Rm calculation.
#41
bas-rustenburg
closed
9 years ago
2
Rm incorrectly calculated because pint does work with numpy.power
#40
bas-rustenburg
closed
9 years ago
0
Conda recipe added
#39
bas-rustenburg
opened
9 years ago
3
Setting up conda-recipe.
#38
bas-rustenburg
closed
9 years ago
9
Format repository like our other repositories?
#37
kyleabeauchamp
opened
9 years ago
10
Add missing install dependencies to setup.py
#36
jchodera
closed
9 years ago
7
behave tests don't accurately capture exit status of running script
#35
bas-rustenburg
opened
9 years ago
0
Fixing behave on windows.
#34
bas-rustenburg
closed
9 years ago
1
Removed openmm requirement. Using pint for units.
#33
bas-rustenburg
closed
9 years ago
1
Give unique names to step functions.
#32
bas-rustenburg
closed
9 years ago
0
Added landscape configuration.
#31
bas-rustenburg
closed
9 years ago
2
[WIP] Continuous integration with AppVeyor
#30
bas-rustenburg
closed
9 years ago
16
Rescaling for ITC(Heuristic)Experiment needs to support rescaling concentrations for more experiments
#29
bas-rustenburg
opened
9 years ago
1
Aspirin and Naproxen Solubility
#28
bas-rustenburg
closed
9 years ago
15
Naproxen experiments
#27
bas-rustenburg
opened
9 years ago
4
[WIP] Adding HSA experiment script
#26
bas-rustenburg
closed
9 years ago
6
Fixed bug in HeatOfMixingExperimentSet.
#25
bas-rustenburg
closed
9 years ago
1
Fixed implementation of mass and volume fractions SimpleMixture.
#24
bas-rustenburg
closed
9 years ago
3
SimpleMixture calculates mass fractions and volume fractions wrong.
#23
bas-rustenburg
closed
9 years ago
4
[WIP] Implement unit testing
#22
bas-rustenburg
closed
9 years ago
15
Which units package to use?
#21
jchodera
closed
9 years ago
6
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