new scripts and files added

1 files changed, 25 insertions, 0 deletions

diff --git a/scripts/tensorflow-cv-predictions.rb b/scripts/tensorflow-cv-predictions.rb
new file mode 100755
index 0000000..370a299
--- /dev/null
+++ b/scripts/tensorflow-cv-predictions.rb
@@ -0,0 +1,25 @@
+#!/usr/bin/env ruby
+
+predictions = {}
+lines = File.readlines(ARGV[0])
+lines.shift
+lines.each do |line|
+  smi,prob = line.chomp.split(",")
+  prob.to_f < 0.5 ? predictions[smi] = 0 : predictions[smi] = 1
+end
+lines = File.readlines(File.join("mutagenicity","mutagenicity.csv"))
+lines.shift
+lines.each do |line|
+  smi,exp = line.chomp.split(",")
+  if predictions[smi] == 1 and exp == "1"
+    puts [smi,"TP"].join(",")
+  elsif predictions[smi] == 0 and exp == "0"
+    puts [smi,"TN"].join(",")
+  elsif predictions[smi] == 1 and exp == "0"
+    puts [smi,"FP"].join(",")
+  elsif predictions[smi] == 0 and exp == "1"
+    puts [smi,"FN"].join(",")
+  else
+    puts [smi,"NA"].join(",")
+  end
+end