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luost26 / RDE-PPI

:mountain: Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
Apache License 2.0
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Evaluation #4

Open anton-bushuiev opened 1 year ago

anton-bushuiev commented 1 year ago

Hi, @luost26! Great work! I have a question regarding the evaluation.

I am comparing the evaluation of RDE-Net and RDE-Linear. Why are there fewer entries in the case of RDE-Linear? Where are they filtered?

The "result" dataframes for RDE-Net and RDE-Linear which are the input to the final eval_skempi_three_modes: image

anton-bushuiev commented 1 year ago

It also seems that here the sign is swapped if I understand correctly (i.e. destabilizing mutations are a positive class): https://github.com/luost26/RDE-PPI/blob/f6d68a7331a9f65290f525f0a491848245b072b3/rde/utils/skempi.py#L127