arXiv Machine Learning

Learning Task-Specific Antibody Representations via Function-Aware Masking

arXiv Machine Learning
Aug 12

AgForce Enables Antigen-conditioned Generative Antibody Design

arXiv:2605. 21610v2 Announce Type: replace Abstract: Antibody design methods condition on antigen structure to generate complementarity-determining regions (CDR), yet a systematic evaluation of baseline methods reveals that they largely ignore the antigen input.

By Mansoor Ahmed, Murray Patterson
arXiv Machine Learning
Aug 19

How to make the most of your masked language model for protein engineering

The paper introduces a flexible sampling technique for masked language models (MLMs) called stochastic beam search, which leverages MLMs’ efficiency in evaluating the pseudo‑perplexity of a sequence’s 1‑edit neighborhood. This method reframes generation as whole‑sequence evaluation, allowing guidance across multiple optimization objectives. Extensive in‑silico and in‑vitro tests on antibody therapeutics demonstrate that the sampling strategy significantly influences outcomes, highlighting the need for further research in this area.

By Calvin McCarter, Nick Bhattacharya, Sebastian W. Ober, Hunter Elliott
arXiv Machine Learning
Sep 4

DuaDeep-SeqAffinity: Dual-Branch Deep Learning for Tri-Stream Sequence-Based Antibody--Antigen Affinity Prediction

DuaDeep-SeqAffinity is a sequence-only deep learning framework that predicts antibody–antigen binding affinity directly from primary amino acid sequences, eliminating the need for resolved 3D structures. The model processes the antigen and the antibody heavy and light chains as three independent streams, each embedded with a frozen ESM‑2 protein language model and passed through parallel Transformer and CNN branches before late fusion. On a sequence‑disjoint split of the AbRank benchmark, it achieves a Pearson correlation of 0.683, an R² of 0.460, and a pairwise ranking AUC of 0.895, outperforming single‑branch ablations and showing attention to CDR loops and epitope residues.

By Aicha Boutorh, Soumia Bouyahiaoui, Manel Kara Laouar, Sara Belhadj, Nour El Yakine Guendouz, Asma Boutorh
Hugging Face Trending Papers
Jul 22

Antigen-specific Antibody Multi-modal Foundation Model for Functional Antibody Design

Antibodies are essential proteins that play a central role in immune recognition by binding specific antigen molecules. Although recent protein language models have enabled progress in single-chain protein modeling and generation, they often fall short in antigen-specific antibody design, where effective modeling requires explicit pairing between antibody and antigen, particularly at the epitope level.