Hi all,
I've been working through
this PR during the Hackathon I have been attending. Pretty much all of the code is there, except for the database setup code.
Currently, it requires that you provide the databases yourself. I wanted to discuss how to go about doing this. For GPU padded databases, it's best that the administrator of the compute cluster setup the databases and then provide users access to them, given that GPU pads depend on the hardware.
In my opinion, it would be best to provide documentation within the pipeline on how to set up padded DBs, rather than do it in the pipeline itself. Detecting hardware and computing databases accordingly could be quite tricky to do within the pipeline itself. It's a bit more complex than just downloading and untar-ing a database.
That said, I have just had this nf-core module merged (
nf-core/mmseqs/makepaddedseqdb) that can be used in the pipeline to compute the databases, if we wanted to go about implementing it into the pipeline.
Curious on thoughts! 🙂