AI 中文总结
PyOMES是基于Python的开源生化过程建模框架，采用模块化设计，适配各类用户，经与PHREEQC对比验证稳健性，可用于多种建模场景，具备社区驱动发展潜力。
AI 中文摘要
PyOMES是基于Python的开源（生物）化学过程模拟建模环境，旨在简化动态（包括稳态）过程的建模，采用通用模块化方式，便于在单一建模框架下对广泛的生物、化学及生化系统进行建模。PyOMES面向各类用户，涵盖建模经验较少的群体如实验人员、学生，以及经验丰富的高级用户。本文介绍PyOMES软件，包括其设计、架构与愿景概述，通过用例展示其在多种（生物）化学过程建模场景中的适用性；将其预测结果与现有基准软件（即PHREEQC）对比，验证该软件包的稳健性；最后总结PyOMES的未来发展方向，强调其作为统一建模框架的定位，以及未来开发中社区驱动改进的潜力。
英文摘要
PyOMES is a Python-based, Open-source Modelling Environment for (bio)chemical process Simulation that aims to simplify the modelling of dynamic (including steady state) processes. This is done in a generalied, modular way to facilitate modelling a broad range of biological, chemical, and biochemical systems under a single modelling framework. PyOMES has been built to be accessible to a broad range of users - ranging from those with little modelling experience, such as experimentalists and students, through to more experienced power-users. Here, an introduction is provided to the PyOMES software including a summary of the design, architecture and vision. Use cases are then provided to demonstrate applicability of PyOMES to a number of (bio)chemical process modelling scenarios. Comparisons of predictions against existing benchmark software (i.e. PHREEQC) demonstrate the robustness of the package. Finally, a summary is provided of future directions for the PyOMES package - highlighting its establishment as a unified modelling framework and its potential for community-driven improvement as future developments.
Comments13 pages, 5 Figures
