溶剂：蛋白质折叠的框架

摘要

在进行人工智能研究时，一致性和可靠性至关重要。许多著名的研究领域，如目标检测，都已经通过坚实的基准框架进行了比较和验证。在AlphaFold2之后，蛋白质折叠任务已经进入了一个新阶段，许多方法都是基于AlphaFold2的组件提出的。在蛋白质折叠中，一个统一的研究框架的重要性包括实现和基准，以便一致且公平地比较各种方法。为了实现这一目标，我们提出了Solvent，一个支持最先进模型重要组件的蛋白质折叠框架，以即插即用的方式支持不同模型的统一代码库。Solvent包含了不同模型的实现，并支持在相同数据集上对定义的模型进行训练和评估。我们对知名算法及其组件进行了基准测试，并提供了有益于蛋白质结构建模领域的实验结果。我们希望Solvent能提高所提出模型的可靠性和一致性，并在速度和成本效率上取得提升，从而加速蛋白质折叠建模研究。该代码可在https://github.com/kakaobrain/solvent找到，并且该项目将继续开发。

English

Consistency and reliability are crucial for conducting AI research. Many famous research fields, such as object detection, have been compared and validated with solid benchmark frameworks. After AlphaFold2, the protein folding task has entered a new phase, and many methods are proposed based on the component of AlphaFold2. The importance of a unified research framework in protein folding contains implementations and benchmarks to consistently and fairly compare various approaches. To achieve this, we present Solvent, an protein folding framework that supports significant components of state-of-th-arts models in the manner of off-the-shelf interface Solvent contains different models implemented in a unified codebase and supports training and evaluation for defined models on the same dataset. We benchmark well-known algorithms and their components and provide experiments that give helpful insights into the protein structure modeling field. We hope that Solvent will increase the reliability and consistency of proposed models and gives efficiency in both speed and costs, resulting in acceleration on protein folding modeling research. The code is available at https://github.com/kakaobrain/solvent, and the project will continue to be developed.

溶剂：蛋白质折叠的框架

Solvent: A Framework for Protein Folding

摘要

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