IgCraft: A versatile sequence generation framework for antibody discovery and engineering
- URL: http://arxiv.org/abs/2503.19821v2
- Date: Tue, 15 Apr 2025 04:24:18 GMT
- Title: IgCraft: A versatile sequence generation framework for antibody discovery and engineering
- Authors: Matthew Greenig, Haowen Zhao, Vladimir Radenkovic, Aubin Ramon, Pietro Sormanni,
- Abstract summary: IgCraft is a multi-purpose model for paired human antibody sequence generation, built on Bayesian Flow Networks.<n>By integrating previously separate tasks into a single scalable generative model, IgCraft provides a versatile platform for sampling human antibody sequences.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Designing antibody sequences to better resemble those observed in natural human repertoires is a key challenge in biologics development. We introduce IgCraft: a multi-purpose model for paired human antibody sequence generation, built on Bayesian Flow Networks. IgCraft presents one of the first unified generative modeling frameworks capable of addressing multiple antibody sequence design tasks with a single model, including unconditional sampling, sequence inpainting, inverse folding, and CDR motif scaffolding. Our approach achieves competitive results across the full spectrum of these tasks while constraining generation to the space of human antibody sequences, exhibiting particular strengths in CDR motif scaffolding (grafting) where we achieve state-of-the-art performance in terms of humanness and preservation of structural properties. By integrating previously separate tasks into a single scalable generative model, IgCraft provides a versatile platform for sampling human antibody sequences under a variety of contexts relevant to antibody discovery and engineering. Model code and weights are publicly available at https://github.com/mgreenig/IgCraft.
Related papers
- Decoupled Sequence and Structure Generation for Realistic Antibody Design [45.72237864940556]
A dominant paradigm is to train a model to jointly generate the antibody sequence and the structure as a candidate.<n>We propose an antibody sequence-structure decoupling (ASSD) framework, which separates sequence generation and structure prediction.<n>ASSD shows improved performance in various antibody design experiments, while the composition-based objective successfully mitigates token repetition of non-autoregressive models.
arXiv Detail & Related papers (2024-02-08T13:02:05Z) - A Hierarchical Training Paradigm for Antibody Structure-sequence
Co-design [54.30457372514873]
We propose a hierarchical training paradigm (HTP) for the antibody sequence-structure co-design.
HTP consists of four levels of training stages, each corresponding to a specific protein modality.
Empirical experiments show that HTP sets the new state-of-the-art performance in the co-design problem.
arXiv Detail & Related papers (2023-10-30T02:39:15Z) - Hierarchical Generation of Human-Object Interactions with Diffusion
Probabilistic Models [71.64318025625833]
This paper presents a novel approach to generating the 3D motion of a human interacting with a target object.
Our framework first generates a set of milestones and then synthesizes the motion along them.
The experiments on the NSM, COUCH, and SAMP datasets show that our approach outperforms previous methods by a large margin in both quality and diversity.
arXiv Detail & Related papers (2023-10-03T17:50:23Z) - Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot
Antibody Designer [58.97153056120193]
The specificity of an antibody is determined by its complementarity-determining regions (CDRs)
Previous studies have utilized complex techniques to generate CDRs, but they suffer from inadequate geometric modeling.
We propose a textitsimple yet effective model that can co-design 1D sequences and 3D structures of CDRs in a one-shot manner.
arXiv Detail & Related papers (2023-04-21T13:24:26Z) - Generative Antibody Design for Complementary Chain Pairing Sequences
through Encoder-Decoder Language Model [0.0]
We present paired T5 (pAbT5), an encoder-decoder model to generate complementary heavy or light chain from its pairing partner.
Our results showcase the potential of pAbT5 in generative antibody design, incorporating biological constraints from chain pairing preferences.
arXiv Detail & Related papers (2023-01-06T23:34:52Z) - Incorporating Pre-training Paradigm for Antibody Sequence-Structure
Co-design [134.65287929316673]
Deep learning-based computational antibody design has attracted popular attention since it automatically mines the antibody patterns from data that could be complementary to human experiences.
The computational methods heavily rely on high-quality antibody structure data, which is quite limited.
Fortunately, there exists a large amount of sequence data of antibodies that can help model the CDR and alleviate the reliance on structure data.
arXiv Detail & Related papers (2022-10-26T15:31:36Z) - Reprogramming Pretrained Language Models for Antibody Sequence Infilling [72.13295049594585]
Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency.
Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance.
In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data.
arXiv Detail & Related papers (2022-10-05T20:44:55Z) - Benchmarking deep generative models for diverse antibody sequence design [18.515971640245997]
Deep generative models that learn from sequences alone or from sequences and structures jointly have shown impressive performance on this task.
We consider three recently proposed deep generative frameworks for protein design: (AR) the sequence-based autoregressive generative model, (GVP) the precise structure-based graph neural network, and Fold2Seq that leverages a fuzzy and scale-free representation of a three-dimensional fold.
We benchmark these models on the task of computational design of antibody sequences, which demand designing sequences with high diversity for functional implication.
arXiv Detail & Related papers (2021-11-12T16:23:32Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.