diff options
Diffstat (limited to 'scripts/predict.rb')
-rwxr-xr-x | scripts/predict.rb | 24 |
1 files changed, 4 insertions, 20 deletions
diff --git a/scripts/predict.rb b/scripts/predict.rb index 9161f45..57d5a8b 100755 --- a/scripts/predict.rb +++ b/scripts/predict.rb @@ -2,23 +2,7 @@ require_relative '../../lazar/lib/lazar' include OpenTox -train = Dataset.from_csv_file ARGV[0] - -model = Model::LazarClassification.create(training_dataset: train) - -n = 0 -results = {} -File.open(ARGV[1]).each_line do |l| - unless n == 0 - id,smi = l.chomp.split "," - c = Compound.from_smiles smi - result = model.predict c - results[id] = result - end - n += 1 -end - -puts results.to_json - #puts result.inspect - #rcv = Validation::RepeatedCrossValidation.create(model) -#puts "#{rcv.id}" +dataset = Dataset.find(File.read(ARGV[0]).chomp) +model = Model::Validation.find(File.read(ARGV[1]).chomp) +predictions = model.predict dataset.compounds # avoid dataset prediction to keep neighbors +puts predictions.to_json |