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生物模拟软件:一个用于推荐特定工具的模拟引擎和服务的中央注册中心。

BioSimulators: a central registry of simulation engines and services for recommending specific tools.

机构信息

Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA.

University of Washington, Seattle, WA 98105, USA.

出版信息

Nucleic Acids Res. 2022 Jul 5;50(W1):W108-W114. doi: 10.1093/nar/gkac331.

Abstract

Computational models have great potential to accelerate bioscience, bioengineering, and medicine. However, it remains challenging to reproduce and reuse simulations, in part, because the numerous formats and methods for simulating various subsystems and scales remain siloed by different software tools. For example, each tool must be executed through a distinct interface. To help investigators find and use simulation tools, we developed BioSimulators (https://biosimulators.org), a central registry of the capabilities of simulation tools and consistent Python, command-line and containerized interfaces to each version of each tool. The foundation of BioSimulators is standards, such as CellML, SBML, SED-ML and the COMBINE archive format, and validation tools for simulation projects and simulation tools that ensure these standards are used consistently. To help modelers find tools for particular projects, we have also used the registry to develop recommendation services. We anticipate that BioSimulators will help modelers exchange, reproduce, and combine simulations.

摘要

计算模型在加速生物科学、生物工程和医学方面具有巨大的潜力。然而,由于模拟各种子系统和规模的众多格式和方法仍然被不同的软件工具所隔离,因此仍然难以再现和重复使用模拟。例如,每个工具都必须通过一个独特的接口执行。为了帮助研究人员找到和使用模拟工具,我们开发了 BioSimulators(https://biosimulators.org),这是一个模拟工具功能的中央注册中心,以及针对每个工具的每个版本的一致的 Python、命令行和容器化接口。BioSimulators 的基础是标准,如 CellML、SBML、SED-ML 和 COMBINE 存档格式,以及用于模拟项目和模拟工具的验证工具,以确保这些标准得到一致使用。为了帮助建模人员找到特定项目的工具,我们还使用注册中心开发了推荐服务。我们预计,BioSimulators 将帮助建模人员交换、再现和组合模拟。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca10/9252793/d5a0de60fcef/gkac331figgra1.jpg

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