PiFold: Toward effective and efficient protein inverse folding. (arXiv:2209.12643v2 [cs.AI] UPDATED)

How can we design protein sequences folding into the desired structures
effectively and efficiently? Structure-based protein design has attracted
increasing attention in recent years; however, few methods can simultaneously
improve the accuracy and efficiency due to the lack of expressive features and
autoregressive sequence decoder. To address these issues, we propose PiFold,
which contains a novel residue featurizer and PiGNN layers to generate protein
sequences in a one-shot way with improved recovery. Experiments show that
PiFold could achieve 51.66\% recovery …

arxiv protein