| 🚀 Converting between string representations with the following parameters: | |
| subcommand: convert | |
| output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'> | |
| format: csv | |
| input: <_io.TextIOWrapper name='/nemo/lab/johnsone/home/users/johnsoe/data/datasets/biogen-adme/ADME_public_set_3521-eoj.csv' mode='r' encoding='UTF-8'> | |
| representation: SMILES | |
| column: SMILES | |
| prefix: None | |
| to: ['id', 'inchikey', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa'] | |
| options: ['prefix=SCB-'] | |
| func: <function _convert at 0x7f5b3b793240> | |
| 0it [00:00, ?it/s] 1it [00:01, 1.63s/it] 2it [00:03, 1.58s/it] 3it [00:04, 1.57s/it] 4it [00:05, 1.28s/it] 4it [00:05, 1.39s/it] | |
| Error counts: | |
| id: 0 | |
| inchikey: 0 | |
| smiles: 0 | |
| scaffold: 0 | |
| mwt: 0 | |
| clogp: 0 | |
| tpsa: 0 | |
| ⏰ Completed process in 0:00:05.623413 | |