How to increase number of SMILES for each RL epoch

[marco-chimfarm]

Hi everyone,

I am trying to increase the number of SMILES being generated for each epoch but I can't find the relevant parameter.
Does someone know which one I should change?

[halx]

Hi,

many thanks for your interest in REINVENT and welcome to the community!

Your are looking for batch_size in the [parameters] section. But be aware that this is also a hyper-parameter and as such influences backpropagation and, in essence, the learning rate.

Cheers,
Hannes.

[marco-chimfarm]

Hi halx, sorry for the late reply.
So there's no way of dissociating the number of molecules from the batch size, this is why I didn't find it!

[halx]

Yes, they are the same.