Mercurial > repos > tduigou > rptools_rpscore
diff test-data/1-rp2_metnet.csv @ 2:f29ff80bab42 draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 387d0dd233c1d9948152a2d4af9e69ad10fe1b6a
author | tduigou |
---|---|
date | Thu, 23 Nov 2023 14:26:47 +0000 |
parents | 241da19c48a1 |
children |
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--- a/test-data/1-rp2_metnet.csv Thu Nov 02 14:36:09 2023 +0000 +++ b/test-data/1-rp2_metnet.csv Thu Nov 23 14:26:47 2023 +0000 @@ -1,9 +1,71 @@ "Initial source","Transformation ID","Reaction SMILES","Substrate SMILES","Substrate InChI","Product SMILES","Product InChI","In Sink","Sink name","Diameter","Rule ID","EC number","Score","Starting Source SMILES","Iteration" 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