UnixJunkie/rdkit_mol2_test
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test mol2 read/write support in rdkit
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Francois BERENGER 0d267ab9cf added failed_mol2_roundtrip.gz: list of ZINC ids that failed the 
(can_smi -> mol2 -> can_smi) roundtrip
2017-08-20 13:56:22 +09:00
failed_mol2_roundtrip.gz added failed_mol2_roundtrip.gz: list of ZINC ids that failed the 2017-08-20 13:56:22 +09:00