more script consolidations

1 files changed, 18 insertions, 0 deletions

diff --git a/scripts/pa-predictions.rb b/scripts/pa-predictions.rb
new file mode 100755
index 0000000..9500c39
--- /dev/null
+++ b/scripts/pa-predictions.rb
@@ -0,0 +1,18 @@
+#!/usr/bin/env ruby
+
+predictions = {}
+algos = []
+
+ARGV.each do |f|
+  name = f.sub("pyrrolizidine-alkaloids/","").sub("/","-").sub(".csv","")
+  algos << name
+  File.readlines(f).each do |l|
+    smi,pred = l.chomp.split(",")
+    predictions[smi] ||= {}
+    predictions[smi][name] = pred
+  end
+end
+puts (["Canonical SMILES"] + algos).join(",")
+predictions.each do |smi,pred|
+  puts ([smi]+algos.collect{|a| pred[a]}).join(",")
+end