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vorobieva / validate_de_novo_designed_proteins

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Question regarding to the accessibility of original deign models from the three datasets #1

Closed meneshail closed 9 months ago

meneshail commented 9 months ago

Dear authors, Hi! Thanks for the briliant study on the long-standing and crucial problems of understanding the relationship between in-silico validation and experimental outcomes. I noticed in the supplementary materials that only the sequences of the original design models are provided, but not their originally designed structures. Considering that RMSD between the design models and the AF/ESMF predicted structures is used as a metric for predicting outcomes, the structures of these original design models must have been used in the analysis. Therefore, I am wondering if you could kindly share these original designs from the three datasets collected (namely water_soluble_barrels, 8_stranded_transmembrane_barrels, 12_stranded_transmembrane_barrels), or provide a guidance on how to access them? Thanks in advance. Look forward to your reply :)

Yuyang

meneshail commented 9 months ago

Thanks you very much for including these models in the second version of the Dataset. They will be incredibly valuable for the whole comunnity. Closing the issue now.