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-rwxr-xr-xscripts/predict.rb24
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