Jian Peng, Zhizhou Ren, Shitong Luo, Ruihan Guo, Jianzhu Ma, Chaoran Cheng, Jiahan Li, Zuofan Wu
We lifted 10 functions out of this paper's own repositories and ran 8 of them in a sandbox. "Ran" means the function executed on a synthesized input and returned a value. It is not a reproduction of the paper's results.
| Repository | Role | Ran |
|---|---|---|
| Ced3-han/PepFlowww | canonical | 8 of 9 |
| ced3-han/pepflowww | canonical | 0 of 1 |
| Function | Status | Where it lives |
|---|---|---|
| flatten_final_dims | Ran | Ced3-han/PepFlowww/models_con/ipa_pytorch.py code served (permissive licence) · get_code("706bd906bbbd5b15") |
| get_index_embedding | Ran | Ced3-han/PepFlowww/models_con/utils.py code served (permissive licence) · get_code("773151823a896982") |
| get_psi_angle | Ran | Ced3-han/PepFlowww/models_con/torsion.py code served (permissive licence) · get_code("486297ae5c4a75aa") |
| permute_final_dims | Ran | Ced3-han/PepFlowww/models_con/ipa_pytorch.py code served (permissive licence) · get_code("c653d7a1bb820cd6") |
| process_dic | Ran | Ced3-han/PepFlowww/models_con/utils.py code served (permissive licence) · get_code("698ee74b983de664") |
| tor_expmap | Ran | Ced3-han/PepFlowww/models_con/torus.py code served (permissive licence) · get_code("add0c7814f5e2106") |
| tor_logmap | Ran | Ced3-han/PepFlowww/models_con/torus.py code served (permissive licence) · get_code("58c927320adf39f6") |
| tor_projx | Ran | Ced3-han/PepFlowww/models_con/torus.py code served (permissive licence) · get_code("b0d0914094997395") |
| calc_distogram | Not yet run | Ced3-han/PepFlowww/models_con/utils.py code served (permissive licence) · get_code("04218cc837a6fff9") |
| get_tm_score | Not yet run | ced3-han/pepflowww/eval/align.py code served (permissive licence) · get_code("ba6bcbc1beb38837") |
Some links come from the archived Papers with Code dataset (CC BY-SA 4.0): attribution and licence.
Peptides, short chains of amino acid residues, play a vital role in numerous biological processes by interacting with other target molecules, offering substantial potential in drug discovery. In this work, we present PepFlow, the first multimodal deep generative model grounded in the flow-matching framework for the design of fullatom peptides that target specific protein receptors. Drawing inspiration from the crucial roles of residue backbone orientations and side-chain dynamics in protein-peptide interactions, we characterize the peptide structure using rigid backbone frames within the SE(3) manifold and side-chain angles on high-dimensional tori. Furthermore, we represent discrete residue types in the peptide sequence as categorical distributions on the probability simplex. By learning the joint distributions of each modality using derived flows and vector fields on corresponding manifolds, our method excels in the fine-grained design of full-atom peptides. Harnessing the multi-modal paradigm, our approach adeptly tackles various tasks such as fixbackbone sequence design and side-chain packing through partial sampling. Through meticulously crafted experiments, we demonstrate that PepFlow exhibits superior performance in comprehensive benchmarks, highlighting its significant potential in computational peptide design and analysis. Recently, deep generative models, particularly diffusion probabilistic models (Sohl-Dickstein et al., 2015;Ho et al., 2020;Song & Ermon, 2019; Song et al., 2020b), have shown considerable promise in de novo protein design (Huang et al., 2016). These models mainly focus on generating protein backbones, represented as N rigid frames in the SE(3) manifold
The same record, over MCP at https://syntology.ai/mcp:
get_harvested_code_for_paper("2406.00735")
get_code_for_paper("2406.00735")
have("2406.00735")
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