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AI4Protein

De novo peptide design

Release Date Name Reference Repository Model Type Experimental Validation Notes
2022-05-10 TERMs Protein Science 31.6 (2022): e4322 N/A Scaffold-based No
2022-05-24 Rifdock Nature 605.7910 (2022): 551 Github RifDock + RifGen Yes David Baker
2022-07-21 RFdesign Science 377.6604 (2022): 387 Github Hallucination + Inpainting Yes David Baker
2023-02-26 AfCycDesign BioRxiv (2023): 2023-02 Github AF2-based Yes Cyclic Peptide
2023-05-26 dl-binder-design Nat. Commun 14.1 (2023): 2625 Github Hallucination + Inpainting Yes David Baker, Benchmark
2023-06-28 PepPrCLIP BioRxiv (2023): 2023-06 GithubN/A ESM2 + Diffusion Yes
2023-08-08 Evoplay Nat. Mach. Intell 5.8 (2023): 845 Github RL-based Yes
2023-08-26 AfDesign IJMS 24.17 (2023): 13257 Code1, Code2 AF2-based No Cyclic Peptide
2023-09-24 EvoPro PNAS 120.49 (2023): e2307371120 Github AF2 + ProteinMPNN Yes
2023-10-05 PepMLM ArXiv:2310.03842 Github ESM2-based Yes
2023-10-23 ColabFold + BO GenBio@NeurIPS2023 Poster N/A ColabFold and BO No Bayesian Optimization
2023-10-25 EvoBind Commun. Chem 6.1 (2023): 229 Gitlab Foldseek + ESM-IF1 Yes
2024-03-08 PPFlow BioRxiv (2024): 2024-03 N/A Flow-based No PPBench2024
2024-02-21 PepGLAD ArXiv:2402.13555 N/A Diffusion-based No
2024-03-06 AMP-Diffusion BioRxiv (2024): 2024-03 N/A ESM2 + Diffusion No

Scaffold generate models

Release Date Model Name Reference Repository Model Type Tasks Type
2024-02-10 Scaffold-Lab BioRxiv (2024): 2024-02 Github Benchmark
2022-07-21 RFdesign Science 377.6604 (2022): 387 Github AF2-based Hallucination, Unconditional, Inpainting
2022-06-27 Ig-VAE PLoS Comput. Biol 18.6 (2022): e1010271 Github VAE-based Unconditional
2022-07-01 ProteinSGM Nat. Comput. Sci 3.5 (2023): 382 Gitlab Diffusion-based Unconditional, Inpainting
2023-01-01 DiffSDS ArXiv:2301.09642 Github Diffusion-based Inpainting
2023-01-29 Genie ArXiv:2301.12485 Github Diffusion-based Unconditional
2023-02-05 FrameDiff ArXiv:2302.02277 Github Diffusion-based Unconditional
2023-05-10 Protein Generator BioRxiv (2023): 2023-05 Github Huggingface Diffusion-based Unconditional, Inpainting
2023-05-25 Protpardelle BioRxiv (2023): 2023-05 Github Diffusion-based Unconditional, Side-chain conditional
2023-06-11 RFdiffusion Nature 620.7976 (2023): 1089 Github Diffusion-based General
2023-06-30 TDS ArXiv:2306.17775 Github Diffusion-based Conditional
2023-10-30 GPDL BioRxiv (2023): 2023-10 Github ESM-based Conditional
2023-10-08 FrameFlow ArXiv:2310.05297 Github Flow-based Unconditional
2023-11-15 Chroma Nature 623.7989 (2023): 1070 Github Diffusion-based General
2024–02-28 PocketGen BioRxiv (2024) 2024-02 Github Bilevel graph transformer Inpainting
2024–03-07 RFdiffusion-AA Science (2024): eadl2528 Github Diffusion-based General

Protein protein binding affinity

Datasets

Name Source Type Affinity Type Dataset Size Protein Type Download Link Notes
SKEMPI 2.0 Dataset ΔΔG/ΔG 6193/346 General Link
ATLAS Dataset ΔΔG/ΔG 604/65 MHC-TCR Link
GeoPPI Paper ΔΔG 6538 General Link
mmCSM-PPI Paper ΔΔG 1340 General Link SKEMPI 2.0 + etc.
TopNetTree Paper ΔΔG 1290 Antigen-Antibody Link AB_Bind + etc.
AB_Bind Dataset ΔΔG 1101 Antigen-Antibody Link
BindPPI Paper ΔG 1467 General Link
NERE Paper ΔG 566 Antigen-Antibody Link From Sabdab
Sabdab Dataset ΔG 467 Antigen-Antibody Link
CSM-AB Paper ΔG 473 Antigen-Antibody Link From Sabdab
AREA-AFFINITY Paper ΔG 297 Antigen-Antibody Link From CSM-ABB
LISA Paper ΔG 179 General Link
PRO_580 Paper ΔG 144 General Link
Prodigy Paper ΔG 81 General Link

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