search

MolecularAI / reinvent-scoring

Apache License 2.0
10 stars 14 forks source link

Added General REST score component #6

Closed OlgaGKononova closed 1 year ago

OlgaGKononova commented 1 year ago

Hello,

This is a proof-of-concept proposal that was briefly presented on private communication through e-mail, to be discussed further.

cc:  @marcostenta, @j3mdamas

Olga.

j3mdamas commented 1 year ago

@halx now that this is merged, is there a plan to release it to PyPI? I noticed also that the current PyPI version (0.0.73) does not include the changes present in 7fa914d51ef12ed9174bf6f35d11231ca42b8ab3 Currently I can install it "manually" from the repository, but I have to add in some hacks to make it work since the new configuration .json files are not coming during install.

halx commented 1 year ago

We are currently focusing on refactoring the scoring code so this is not a priority for us.

marcostenta commented 1 year ago

Hi Hannes, will you include in the refactored code a piece that behaves like the contribution above? It would be very useful to integrate reinvent into platforms. A generic REST component would allow such integration with no code changes on the reinvent code.

halx commented 1 year ago

Hi Marco,

we can port that over, yes. But we will also have a plugin mechanism in place that would make it fairly easy to write new scoring components.

Cheers, Hannes.