From a29eb3e38414cd252850c9c4fb356f8b2bef6fb4 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 12 Feb 2021 19:54:07 +0100 Subject: model.rb refactored, mp2d models updated --- models/mutagenicity-mp2d/download/hansen_convert.rb | 12 ++++++++++++ 1 file changed, 12 insertions(+) create mode 100755 models/mutagenicity-mp2d/download/hansen_convert.rb (limited to 'models/mutagenicity-mp2d/download/hansen_convert.rb') diff --git a/models/mutagenicity-mp2d/download/hansen_convert.rb b/models/mutagenicity-mp2d/download/hansen_convert.rb new file mode 100755 index 0000000..fa351ea --- /dev/null +++ b/models/mutagenicity-mp2d/download/hansen_convert.rb @@ -0,0 +1,12 @@ +#!/usr/bin/env ruby +require 'csv' + +# convert hansen dataset +hansen = CSV.read ARGV[0] +hansen.shift + +map = {"0" => "non-mutagenic","1" => "mutagenic"} +puts "ID,SMILES,Mutagenicity" +hansen.each do |row| + puts [row[0],row[5],map[row[2]]].join "," +end -- cgit v1.2.3