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proteinsequencedesign.md

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💡 Notes

  • The following lists are curated by humans, as such may be incomplete
  • We only include software targeting the inverse folding problem e.g given a structure predict the sequence that folds into it. This is also referred to as protein sequence design. Note, that most models here model P(sequence | structure).
  • We do not wish to advertize one tool over any other, but simply list the tools we are aware of in order of publication year of the model, preprint or publication (whichever is first)
  • Any suggestions for improvements and additions are welcome as issues or pull requests

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Protein Sequence Design / Inverse folding models

(sorted by year of release)

Name Release year Architecture Paper Code Notes Experimental validation
ABACUS-R 2022 Transformer Nat Comput Sci code
ProteinMPNN 2022 MPNN biorxiv git webserver
ProDESIGN-LE 2022 Transformer biorxiv - -
RaSP 2022 3DCNN biorxiv git colab -
MIF 2022 SGNN biorxiv git -
ESM-IF1 2022 Transformer biorxiv git -
Partlon et al. 2022 Transformer biorxiv - -
TIMED-* 2022 3DCNN arxiv git not published yet
GCNDesign 2021 GCN pdf git colab -
GX 2021 3DCNN+GNN arxiv git not published yet
Fold2Seq 2021 Transformer arxiv git -
CNN_protein_landscape 2021 3DCNN Journal of Biological Physics git -
Orellana et al. 2021 GVP biorxiv - -
Jing et al. 2020 GVP arxiv git
DenseCPD 2020 3DCNN JCIM - webserver -
ProDCoNN 2020 3DCNN Proteins - -
ProteinSolver 2020 GNN Cell Systems gitlab webserver
MutCompute 2020 3DCNN ACS SynBio - webserver
Ingraham et al. 2019 Transformer NeurIPS Proceedings git -
3DCNN 2017 3DCNN BMC Bioinformatics - -

Protein Sequence & Rotamer Design / Inverse folding models

(sorted by year of release)

Name Release year Architecture Paper Code Notes Experimental validation
TIMED_Rotamer 2022 3DCNN - git not published yet
SeqDes 2021 3DCNN Nature Comm - BioRxiv git