Merge branch 'master' of https://github.com/undeadpixel/reinvent-scaf…

…fold-decorator

README.md

@@ -69,7 +69,7 @@ Create the DRD2 dataset as described in the manuscript.
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 (reinvent-scaffold-decorator) $> mkdir -p drd2_decorator/models
 (reinvent-scaffold-decorator) $> ./slice_db.py -i training_sets/drd2.excapedb.smi.gz -u drd2_decorator/excape.drd2.hr.smi -s hr -f conditions.json.example
-(reinvent-scaffold-decorator) $> ./create_randomized_smiles.py -i drd2_decorator/drd2.hr.smi -o drd2_decorator/training -n 50 -d multi
+(reinvent-scaffold-decorator) $> ./create_randomized_smiles.py -i drd2_decorator/excape.drd2.hr.smi -o drd2_decorator/training -n 50 -d multi
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 Train the DRD2 model using the training set created before.
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