index
:
mutagenicity-paper
master
pa
Data and experiments for an upcoming manuscript
summary
refs
log
tree
commit
diff
log msg
author
committer
range
path:
root
/
scripts
Age
Commit message (
Collapse
)
Author
2021-06-25
links fixed
Christoph Helma
2021-06-25
first revision
Christoph Helma
2021-03-20
manuscript update
Christoph Helma
2021-02-22
new scripts and files added
Christoph Helma
2021-02-22
more script consolidations
Christoph Helma
2021-02-18
further cleanup, detailled pa-predictions separated, text modified until results
Christoph Helma
2021-02-17
updated tensorflow cdk predictions, cdk properties added
Christoph Helma
2021-02-17
cleanup, scripts adjusted, improved figures
Christoph Helma
2021-02-10
new confusion matrix locations, PA prediction figures, pandoc-placetable ↵
Christoph Helma
removed, shell.nix updated, PA scripts updated, jupyter notebooks updated
2021-02-06
svm validation, tensorflow mp2d pa predictions, r results removed, cleanup
Christoph Helma
2021-01-23
updated tensorflow pa fingerprint predictions
Christoph Helma
2021-01-18
tensorflow cv with fixed mutagenicity outcome
Christoph Helma
2020-12-10
CDK instead of PaDEL
Christoph Helma
2020-10-21
PA discussion
Christoph Helma
2020-10-20
Summary table of PA predictions
Christoph Helma
2020-10-19
PA prediction summary
Christoph Helma
2020-10-19
PA Table fixed
Christoph Helma
2020-10-19
lazar-padel pa predictions fixed
Christoph Helma
2020-10-19
tensorflow PA predictions, updated tensorflow cv
Christoph Helma
2020-10-17
typos fixed
Christoph Helma
2020-10-17
ch additions to manuscript
Christoph Helma
2020-10-16
ROC plot updated for readability
Christoph Helma
2020-10-16
pa prediction table integrated
Christoph Helma
2020-10-16
table with PA predictions
Christoph Helma
2020-10-10
tensorflow summary fixed
Christoph Helma
2020-10-10
lazar summary updated
Christoph Helma
2020-10-10
pdf updated
Christoph Helma
2020-10-10
Makefile and scripts cleanup; lazar, R and tensorflow tables
Christoph Helma
2020-09-30
padel tsne diagram
Christoph Helma
2020-09-25
new tensorflow predictions, nix configuration, t-sne figure
Christoph Helma
2019-10-28
discussion, conclusion, abstract
Christoph Helma
2019-10-21
Results section
Christoph Helma
2019-10-21
mustache preprocessing
Christoph Helma
2019-10-10
Makefile update, obsolete scripts removed
pa
Christoph Helma
2019-08-19
obsolete files removed, adjusted export scripts
Christoph Helma
2019-08-14
directory reorganization, evaluation scripts for R CVs
Christoph Helma
2018-12-07
exported fingerprints
Christoph Helma
2018-11-06
smiles instead of ids in csv export
Christoph Helma
2018-11-06
sdf export fixed, cleanup
Christoph Helma
2018-11-05
models/predictions with latest lazar version
Christoph Helma
2018-11-05
adjustments for latest lazar version
Christoph Helma
2018-10-07
Rakefile fix, directories added/fixed
Christoph Helma
2018-10-07
Rakefile instead of Makefile and scripts
Christoph Helma
2018-10-06
PA's updated
Christoph Helma
2018-09-17
efsa parsing fixed, contradictory results
Christoph Helma
2018-09-06
mutagenicity sdf export
Christoph Helma
2018-08-23
unique neighbor sets
Christoph Helma
2018-08-09
merged validation
Christoph Helma
2018-08-08
merged dataset
Christoph Helma
2018-08-07
initial commit
Christoph Helma