cambDI camb_old issues - Githubissues

cambDI / camb_old

chemistry aware model builder

GNU General Public License v2.0

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Error Installing camb

#58 sawsimeon opened 9 years ago
4
Sasha's linux machine gives the following error when installing camb

#57 dsmurrell opened 9 years ago
1
Delete files generated in the tutorials before submission

#56 isidroc opened 10 years ago
0
include these descriptors AADescAll from protr

#55 isidroc opened 10 years ago
0
split the package into a camb-lib package and camb package.

#54 dsmurrell closed 10 years ago
1
Remove Roxygen documentation

#53 dsmurrell closed 10 years ago
1
I'm not quite following this...

#52 dsmurrell closed 10 years ago
1
Can we revert the properties filetype to a csv file again?

#51 dsmurrell opened 10 years ago
3
What does the loadMorganFPs function do in Descriptors.R?

#50 dsmurrell closed 10 years ago
2
Do you know what the R/functions file is there for??

#49 dsmurrell closed 10 years ago
2
Examples must all run (i.e. if you need to load data for the example then it must be loaded there)

#48 dsmurrell closed 10 years ago
1
Why does this funtion (and others) have a two dot parameter?

#47 dsmurrell closed 10 years ago
2
Do you know how we can get rid of these warnings on the install?

#46 dsmurrell opened 10 years ago
2
What about not depending on packages like directlables but only making the user install these when they are needed?

#45 dsmurrell opened 10 years ago
3
add Q1, Q2, Q3 formulas

#44 isidroc closed 10 years ago
0
Prediction function for new molecule

#43 dsmurrell closed 10 years ago
1
Finish documentation

#42 dsmurrell closed 10 years ago
0
GetCVTrainControl

#41 isidroc closed 10 years ago
0
vegdist

#40 isidroc closed 10 years ago
0
remove div*div from R2 formula

#39 isidroc closed 10 years ago
1
set legend option Correlation plot

#38 isidroc opened 10 years ago
0
add match types to generate padel descriptors

#37 isidroc closed 10 years ago
1
Quick cleanup

#36 dsmurrell closed 10 years ago
8
Check all these files are required in the COX example...

#35 dsmurrell closed 10 years ago
1
add y-scrambling

#34 isidroc closed 10 years ago
1
PCAProt

#33 isidroc closed 10 years ago
0
PCAProtPlot. The shapes for a large number of proteins are not plot correctly

#32 isidroc closed 10 years ago
0
In RMSE_CV and R2_CV, we assume that the metric used in the training to select the best model is 'RMSE'. Modify the function so this is checked automatically with model$metric (or the like..)

#31 isidroc closed 10 years ago
1
Standardise. Comment here major changes on this file

#30 isidroc opened 10 years ago
5
STscales are repeated in AA_descs types. Remove

#29 isidroc closed 10 years ago
0
check repeatedCV as indicated by Chad

#28 isidroc closed 10 years ago
0
Decide what we do with the impute package. Find alternative?

#27 isidroc closed 10 years ago
9
On Linux the configure file has no permission to be run, thus hampering installation. If permissions are added the installation proceeds. Add automatic executable permissions to the file

#26 isidroc opened 10 years ago
0
directlabels is not a dependency of the package. Remove from NAMESPACE

#25 isidroc closed 10 years ago
0
Dependencies are not loaded/installed when requiring camb (e.g. png or ggplot2)

#24 isidroc closed 10 years ago
1
Support for gaps in AA identifiers

#23 GJPvWesten closed 10 years ago
3
show/get properties from smiles

#22 isidroc closed 10 years ago
1
Add properties to written molecules (in sdf format) with the standardise fucntion

#21 isidroc opened 10 years ago
1
test padel fingerprints are working properly

#20 dsmurrell closed 10 years ago
0
classification example and functionality

#19 dsmurrell closed 10 years ago
1
Morgan fringeprints should tell you for which compounds the fps were not calculated..

#18 isidroc closed 10 years ago
1
Add methods that the user can use to generate predictions and confidence intervals for new compounds/targets.

#17 dsmurrell opened 11 years ago
1
Ensemble

#16 isidroc closed 10 years ago
1
Add scatterplot graphing options

#15 dsmurrell closed 11 years ago
0
Add model statistics

#14 dsmurrell closed 11 years ago
0
Finalise training defaults and options

#13 dsmurrell closed 10 years ago
1
Add methods to merge target and compound data

#12 dsmurrell closed 10 years ago
3
Finilise preprocessing option defaults

#11 dsmurrell closed 10 years ago
0
Add assessment of maximum model performance

#10 dsmurrell closed 11 years ago
0
Diversity selection of compounds

#9 dsmurrell closed 10 years ago
2