RosettaCommons / RosettaCommons/RFdiffusion

Self-Conditioned Sampling doesn't use msa_prev

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Description

https://github.com/RosettaCommons/RFdiffusion/blob/main/rfdiffusion/inference/model_runners.py#L673

            msa_prev, pair_prev, px0, state_prev, alpha, logits, plddt = self.model(msa_masked,
                                msa_full,
                                seq_in,
                                xt_in,
                                idx_pdb,
                                t1d=t1d,
                                t2d=t2d,
                                xyz_t=xyz_t,
                                alpha_t=alpha_t,
                                msa_prev = None,
                                pair_prev = None,
                                state_prev = None,
                                t=torch.tensor(t),
                                return_infer=True,
                                motif_mask=self.diffusion_mask.squeeze().to(self.device))   

In the above sampling code, a previous timestep's features are always set to None. Is this intended?

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Research direction

Read rfdiffusion/inference/model_runners.py around line 673 and inspect the model call shown in the issue. Determine whether the previous timestep features should be passed during self-conditioned sampling and whether the current None values are intentional. Done means the intended behavior is established and the sampling path is corrected or documented accordingly.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
machine-learning
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
38/100

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