RosettaCommons / RosettaCommons/RFdiffusion

How to set the seed value

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Python
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Description

Is it possible to set deterministic at conf/inference/base.yamlas True and set its seed value from the argument?
https://github.com/RosettaCommons/RFdiffusion/blob/1a39202d57b81c27c784407fec975c0f9af77aac/run_inference.py#L42-L43

Or is it preferable to simply set deterministic to True and a large value of inference.num_designs?
But in that case, it will take longer to get the result because it will be executed sequentially instead of in parallel.
Is there a big difference in output between running in parallel with many seeds with inference.num_designs = 1 and running sequentially with a large value of inference.num_designs?

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Research direction

Start with run_inference.py around lines 42–43 and conf/inference/base.yaml to trace how deterministic and inference.num_designs are read. Determine the intended way to pass a seed and how parallel single-design runs should be compared with sequential multiple-design runs; the work is done when the behavior and recommended configuration are clearly established.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
machine-learning
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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