diff options
Diffstat (limited to 'bin/batch_fingerprint_classification.rb')
| -rwxr-xr-x | bin/batch_fingerprint_classification.rb | 13 |
1 files changed, 0 insertions, 13 deletions
diff --git a/bin/batch_fingerprint_classification.rb b/bin/batch_fingerprint_classification.rb deleted file mode 100755 index 318fae6..0000000 --- a/bin/batch_fingerprint_classification.rb +++ /dev/null @@ -1,13 +0,0 @@ -#!/usr/bin/env ruby -require_relative "../lib/lazar" -model = ClassificationModel.new ARGV[0] - -File.read(ARGV[1]).each_line do |line| - if line.match(/SMILES/i) - puts "ID,SMILES,experimental,classification,probability(0),probability(1),max_similarity,nr_neighbors" - else - id,smi = line.chomp.split(",") - puts ([id] + model.predict_smiles(smi)).join(",") - end -end - |