Open PauAndrio opened 2 months ago
Please have a look at the linting logs: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/actions/runs/9906049158/job/27368207101?pr=173
planemo can also test this with planemo lint
You could also, and that is the simplest way possible, just write in the command section: --output ./foo.npz
.
And than in your outputs do <output name="blabla" from_work_dir="foo.npz"/>
. The from_work_dir will then pick up the file and you don't need a mv
or ln
Wrappers for the new collection of blocks to train and apply autoencoder models to molecular dynamics data.