OCaml is a functional programming language with strong static types, Hindley–Milner type inference and garbage collection. In this article, we share our experience in prototyping chemoinformatics and structural bioinformatics software in OCaml. First, we introduce the language, list entry points for chemoinformaticians who would be interested in OCaml and give code examples. Then, we list some scientific open source software written in OCaml. We also present recent open source libraries useful in chemoinformatics. The parallelization of OCaml programs and their performance is also shown. Finally, tools and methods useful when prototyping scientific software in OCaml are given. In our experience, OCaml is a programming language of choice for method development in chemoinformatics and structural bioinformatics.

中文翻译：

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OCaml中的化学信息学和结构生物信息学。

OCaml是一种功能性编程语言，具有强静态类型，Hindley-Milner类型推断和垃圾回收。在本文中，我们分享了在OCaml中进行化学信息学和结构生物信息学软件原型设计的经验。首先，我们介绍该语言，为对OCaml感兴趣的化学信息学家列出入口点，并给出代码示例。然后，我们列出了一些用OCaml编写的科学开源软件。我们还介绍了可用于化学信息学的最新开放源代码库。还显示了OCaml程序的并行化及其性能。最后，给出了在OCaml中对科学软件进行原型设计时有用的工具和方法。根据我们的经验，OCaml是化学信息学和结构生物信息学方法开发的首选编程语言。