cs.AI updates on arXiv.org 07月29日 12:22
Protein-SE(3): Benchmarking SE(3)-based Generative Models for Protein Structure Design
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本文提出Protein-SE(3)基准,集成了多种蛋白质结构生成模型,并提供了数学抽象,旨在促进SE(3)基蛋白质结构设计方法的全面研究和比较。

arXiv:2507.20243v1 Announce Type: cross Abstract: SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of different methods. In this paper, we propose Protein-SE(3), a new benchmark based on a unified training framework, which comprises protein scaffolding tasks, integrated generative models, high-level mathematical abstraction, and diverse evaluation metrics. Recent advanced generative models designed for protein scaffolding, from multiple perspectives like DDPM (Genie1 and Genie2), Score Matching (FrameDiff and RfDiffusion) and Flow Matching (FoldFlow and FrameFlow) are integrated into our framework. All integrated methods are fairly investigated with the same training dataset and evaluation metrics. Furthermore, we provide a high-level abstraction of the mathematical foundations behind the generative models, enabling fast prototyping of future algorithms without reliance on explicit protein structures. Accordingly, we release the first comprehensive benchmark built upon unified training framework for SE(3)-based protein structure design, which is publicly accessible at https://github.com/BruthYU/protein-se3.

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蛋白质结构设计 SE(3)模型 生成模型 基准测试 数学抽象
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