NeginManshour

Hi, I need to predict a protein-peptide complex structure with AlphaFold ver2.3.1, it seems that it must have --max_template_date for running the AlphaFold. If I want to run it in...

'NoneType' object

1

I have run the current version of the code with the below command: ``` python scripts/black_box_opt.py optimizer=lambo optimizer.encoder_obj=mlm task=proxy_rfp tokenizer=protein surrogate=multi_task_exact_gp acquisition=nehvi ``` and there is the full stack trace...

Autodock Vina Scoring Functions

3

Hi, I was wondering if I could use AutoDock Vina scoring functions to evaluate protein-peptide complexes. I used Python-based scripts from the AutoDock Vina website just for scoring the complexes....