E13: new jobs

[phraenquex]

From Ruben's doc:

• Deploy following algorithms:
  • Fragmenstein pose generation
  • Fragment network merges
• Molecules into Fragment Network:
  • Patch in small numbers of molecules (permanent extension).
  • Path in missing molecules for searches (transactions)
• Fix UI infrastructure for extendibility
• Documentation for developers. Self-contained guide, avoid scattered documents. (https://github.com/InformaticsMatters/virtual-screening/blob/main/DEVELOPER_GUIDE.md)
  • How to create a new job.
  • How to deploy local Squonk for testing
• Make it possible for Ruben to deploy independently:
  • Jack Deep learning score
  • Deep Generative model for fragment elaboration
• Also (spill-over from E11): implement flexible handling of inputs and outputs
  • includes identification and assignment of filenames based on output types

[rsanchezgarc]

The following document elaborates on the requirements

https://docs.google.com/document/d/1MYJKOFu-KO0j3fTuAuo-jMAZpvg7Ug6svB061e8suq4/edit?usp=sharing