Want to add custom scoring functions

[Shiv2116]

hey @halx can you guide me up on how to use the externalprocess component as i am planning to incorporate
''BA, SA, QED, Diversity, similarity, Molecular weight, MPO score, num rotatable bonds, , HBD, HBA, TPSA,
LogP, PLogP''
how would i incorporate this ? what shall i touch to do this? and how can i do this

[halx]

You may not need ExternalProcess as we cover (most) of this. What is BA and how do you plan to use similarity/diversity? We have a diversity filter available. QED covers the last five or so you mention btw. MPO usually stands for "multi parameter optimisation" so is a rather generic term.

As for ExternalProcess, there are several examples in support/.

[Shiv2116]

Okay so we are looking to use reinvent in our project, we wanna use our custom scores to be integrated
like through api call where will be calling reinvent to score and accordingly make our reward fucntions

i was looking for a way to intergrate the api into reinvent (figuring out still- help me on this)

like we will use the above scores that will hit reinvent and score us
Ba is Binding affinity

can you help me out in this?
where to intergrate , how to do this?