Pearl

Hello, what was the result of the 'Diversity' indicator when you evaluate it? Whether reading molecules from "raw" or "processed", my result is 0, and the value of SA is...

Hi @arneschneuing , thank you for your timely response. I set n_samples=100 and batch_ size=60 in test.py. If I want to generate multiple molecules for a protein pocket, should I...

I will try training again. Is it appropriate to set the cutoff to 3 (my server may not be able to support larger cutoff values)? This is the code for...

The output is: ``` 100 [120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120, 120,...

I didn't carefully analyze the reason, just replaced the original method of calculating diversity with the code in the original annotation section, and obtained a non zero value. [https://github.com/arneschneuing/DiffSBDD/blob/main/analysis/metrics.py#L196](url) I...

Have you solved this problem? I also encountered this problem.

Hello, do you have any further findings regarding this issue, or have you resolved it？I also encountered this error at runtime, but I don't know how to resolve it.