Solvent：蛋白質折疊的框架

摘要

在進行人工智慧研究時，一致性和可靠性至關重要。許多知名研究領域，如物體偵測，已經透過堅實的基準框架進行比較和驗證。在 AlphaFold2 推出後，蛋白質折疊任務進入了新階段，並且許多方法是基於 AlphaFold2 的組件提出的。在蛋白質折疊中，統一的研究框架的重要性包括實現和基準，以便一致且公平地比較各種方法。為了實現這一目標，我們提出了 Solvent，一個支持最先進模型重要組件的蛋白質折疊框架，以即插即用的方式支持不同模型的統一代碼庫實現，並支持在相同數據集上對定義的模型進行訓練和評估。我們對知名算法及其組件進行基準測試，提供實驗結果，有助於了解蛋白質結構建模領域。我們希望 Solvent 能提高所提出模型的可靠性和一致性，並在速度和成本上提高效率，從而加速蛋白質折疊建模研究。代碼可在 https://github.com/kakaobrain/solvent 獲得，該項目將繼續進行開發。

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.

Solvent：蛋白質折疊的框架

Solvent: A Framework for Protein Folding

摘要

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