arXiv:2606. 17127v1 Announce Type: cross Abstract: Antimicrobial resistance causes to over a million deaths annually.
By Jay Jung, Xiaohan Zhang, Shenghan Song, Mahmoud Sayedahmed, Chijian Xiang, Yunong Xu, Ahmed AbdelKhalek, Severin T. Schneebeli, Matthew J. Wargo, Jianing Li, Safwan Wshah
Antimicrobial peptides (AMPs) often act against multiple pathogen classes, making multi-label activity prediction a more realistic screening target than binary antimicrobial classification. The ESCAPE...
The study demonstrates that a simple, sequence-only approach using 330 interpretable descriptors and the TabPFN tabular foundation model can outperform complex multimodal deep learning methods for multi-label antimicrobial peptide activity prediction. On the ESCAPE benchmark (82,359 peptides, five labels), a label‑powerset TabPFN model achieved a mean average precision of 77.8%, surpassing the previous best of 72.1%. The approach also shows that predicted structure is unnecessary, that a small set of global physicochemical scalars can recover most performance, and that modeling label dependence benefits rare activities and informs assay prioritization.
By Raunak Kumar, Anuj Pal, Dhruvi Solanki, Parikshit Pareek, Juhi Singh, Jitin Singla
arXiv:2606.27824v3 Announce Type: replace-cross
Abstract: Therapeutic peptides are a promising drug modality, but their generation must satisfy multiple therapeutic constraints. We introduce BindSafe...
By Takashi Fujiwara, Hikaru Shindo, Kaushalya Madhawa, Jun Jin Choong, Shuan Chen, Yuna Oikawa, Yiming Zhang, Gyubok Lee, Keisuke Ozawa
Freeze, Diffuse, Decode (FDD) is a diffusion-based framework that adapts pre‑trained transformer embeddings to downstream tasks while preserving their geometric structure. By propagating supervised signals along the intrinsic manifold of frozen embeddings, FDD produces low‑dimensional, predictive, and interpretable representations. In antimicrobial peptide design, these representations support property prediction, retrieval, and latent‑space interpolation.
By Pankhil Gawade, Adam Izdebski, Myriam Lizotte, Kevin R. Moon, Jake S. Rhodes, Guy Wolf, Ewa Szczurek
arXiv:2511.23120v2 Announce Type: replace
Abstract: Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies:...
By Pankhil Gawade, Adam Izdebski, Myriam Lizotte, Kevin R. Moon, Jake S. Rhodes, Guy Wolf, Ewa Szczurek