How to Hallucinate Functional Proteins
Authors: Zak Costello, Hector Garcia Martin
AI-generated Key Points
- Authors present a novel approach to protein design and phenotypic inference using a generative model for protein sequences
- Introduce BioSeqVAE, a variational autoencoder variant that generates syntactically valid protein sequences likely to fold and function
- Model is trained on the entire known protein sequence space in an unsupervised manner
- Validation of BioSeqVAE's effectiveness through accurate reconstruction of sequences in its latent feature space
- Showcasing usefulness through various downstream design tasks
- Computational first step towards developing a general-purpose structure-free protein design tool
- Provides valuable insights into the potential applications of generative models in protein design
Abstract: Here we present a novel approach to protein design and phenotypic inference using a generative model for protein sequences. BioSeqVAE, a variational autoencoder variant, can hallucinate syntactically valid protein sequences that are likely to fold and function. BioSeqVAE is trained on the entire known protein sequence space and learns to generate valid examples of protein sequences in an unsupervised manner. The model is validated by showing that its latent feature space is useful and that it accurately reconstructs sequences. Its usefulness is demonstrated with a selection of relevant downstream design tasks. This work is intended to serve as a computational first step towards a general purpose structure free protein design tool.
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