| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/2021.03.4+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/2019.03.1+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/0.2 |
| toolshed.g2.bx.psu.edu/repos/bgruening/qed/ctb_silicos_qed/0.1 |
| ctb_silicos_qed |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| rdkit | 2021.03.4 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
infile: qed_test.smi method: max header: True |
name: value |
qed_test.smi value |
| Test-2 |
infile: qed_test.smi method: mean header: True |
name: value |
qed_test.smi value |
| Test-3 |
infile: qed_test.smi method: unweighted header: True |
name: value |
qed_test.smi value |