From 3bfc5bfb57e8f130b1b3d9a90fc34744278ef6b5 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 10 Feb 2021 19:14:47 +0100 Subject: new confusion matrix locations, PA prediction figures, pandoc-placetable removed, shell.nix updated, PA scripts updated, jupyter notebooks updated --- Makefile | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) (limited to 'Makefile') diff --git a/Makefile b/Makefile index 1287375..41128b3 100644 --- a/Makefile +++ b/Makefile @@ -1,7 +1,6 @@ # Manuscript # Requirements: # pandoc-scholar (https://github.com/pandoc-scholar/pandoc-scholar) in PANDOC_SCHOLAR_PATH -# pandoc-placetable (https://github.com/mb21/pandoc-placetable) # manuscript @@ -9,7 +8,7 @@ ARTICLE_FILE = mutagenicity.mustache.md PANDOC_SCHOLAR_PATH = pandoc-scholar OUTFILE_PREFIX = mutagenicity DEFAULT_EXTENSIONS = pdf -PANDOC_WRITER_OPTIONS = --filter=pandoc-placetable --filter=pandoc-crossref --filter=pandoc-citeproc +PANDOC_WRITER_OPTIONS = --filter=pandoc-crossref --filter=pandoc-citeproc TEMPLATE_FILE_LATEX = pandoc-scholar.latex # experiments @@ -119,27 +118,27 @@ SUMMARY = summary.yaml all: mutagenicity.pdf include $(PANDOC_SCHOLAR_PATH)/Makefile -mutagenicity.mustache.md: mutagenicity.md $(TABLES) $(FIGURES) $(SUMMARY) +mutagenicity.mustache.md: $(SUMMARY) mutagenicity.md $(TABLES) $(FIGURES) mustache $^ > $@ # figures figures/tsne-cdk.png: figures/tsne-cdk.csv - scripts/tsne-cdk.R + Rscript scripts/tsne-cdk.R # TODO: filtered CDK descriptors figures/tsne-cdk.csv: data/training/GenoTox-database.csv data/pyrrolizidine-alkaloids/PA-Padel-2D_m2.csv scripts/cdk-descriptors.rb $^ > $@ figures/tsne-mp2d.png: figures/tsne-mp2d.csv - scripts/tsne-mp2d.R + Rscript scripts/tsne-mp2d.R # TODO: exported fingerprints figures/tsne-mp2d.csv: 10-fold-crossvalidations/mp2d/lazar/independent_variables scripts/mp2d-distances.rb > figures/tsne-mp2d.csv figures/roc.png: figures/roc.csv - scripts/roc.R + Rscript scripts/roc.R figures/roc.csv: $(CV_SUMMARY) scripts/summary2roc.rb $< > $@ -- cgit v1.2.3