# openchemlib

> Manipulate molecules

Latest version **9.25.0** (published 2026-08-14) · BSD-3-Clause license · 0 weekly downloads

## Install

```sh
npm install openchemlib
pnpm add openchemlib
yarn add openchemlib
bun add openchemlib
```

## Health

**Score 70/100 (B)** — status: active.

Positive: has types; esm support; no vulnerabilities; recently updated; high maintenance score; high quality score.

Warnings: low downloads.

## Facts

| | |
|---|---|
| Version | 9.25.0 |
| Published | 2026-08-14 |
| First published | 2015-03-18 |
| Weekly downloads | 0 |
| License | BSD-3-Clause |
| TypeScript types | bundled |
| Module format | ESM |
| Dependencies | 0 |
| Unpacked size | 5.8 MB |
| Known vulnerabilities | 0 |
| Install scripts | no |
| GitHub stars | 90 |
| Author | Michaël Zasso |
| Maintainers | targos, lpatiny, cheminfo-bot, stropitek |
| Keywords | chemistry, molecule, molfile, SMILES |

## Links

- npm: https://www.npmjs.com/package/openchemlib
- Repository: https://github.com/cheminfo/openchemlib-js
- Issues: https://github.com/cheminfo/openchemlib-js/issues
- npm.io page: https://npm.io/package/openchemlib

## Recent versions

- 9.25.0 (latest) — 2026-08-14
- 9.24.0 — 2026-07-01
- 9.23.0 — 2026-06-12
- 9.22.1 — 2026-05-02
- 9.22.0 — 2026-03-26
- 9.21.0 — 2026-03-11
- 9.20.1 — 2026-03-10
- 9.20.0 — 2026-02-13
- 9.19.0 — 2026-01-20
- 9.18.2 — 2025-11-25
- 9.18.1 — 2025-11-19
- 9.18.0 — 2025-11-12
- 9.17.0 — 2025-11-06
- 9.16.1 — 2025-11-05
- 9.16.0 — 2025-10-31
- … 125 more at https://npm.io/package/openchemlib/versions

## README

<h3 align="center">
  <a href="https://www.zakodium.com">
    <img src="https://www.zakodium.com/brand/zakodium-logo-white.svg" width="50" alt="Zakodium logo" />
  </a>
  <p>
    Maintained by <a href="https://www.zakodium.com">Zakodium</a>
  </p>
</h3>

# OpenChemLib JS

[![NPM version][npm-image]][npm-url]
[![npm download][download-image]][download-url]
[![license][license-image]][license-url]
[![DOI](https://www.zenodo.org/badge/23346814.svg)](https://www.zenodo.org/badge/latestdoi/23346814)

JavaScript port of the [OpenChemLib](https://github.com/actelion/openchemlib) Java library.

## Installation

```console
npm install openchemlib
```

## Documentation

- [Generated API documentation](https://cheminfo.github.io/openchemlib-js/)
- [Web examples](https://openchemlib-js.pages.dev)

## Development

To build this project, you need:

- Java JDK (Tested with version 25)
- GWT (Tested with version 2.13.1, [Download build here](http://www.gwtproject.org/download.html))
- Node.js (Tested with version 26, [Download here](https://nodejs.org/en/download/))

### Install dependencies

```console
npm ci
```

### Configure directories

Copy `config.default.json` to `config.json` and put the path to the GWT classes on your computer.  
If you want to use a custom JDK installation, set the "jdk" key to be the path to your JDK directory.

### npm scripts

To run one of the scripts, use `npm run <scriptName>`.  
To pass additional options, use `npm run <scriptName> -- --option`.

#### build-java

Compile and export the Java API.

#### copy-openchemlib

Copy the required Java files from the openchemlib project.

## License

[BSD-3-Clause](./LICENSE)

[npm-image]: https://img.shields.io/npm/v/openchemlib.svg
[npm-url]: https://www.npmjs.com/package/openchemlib
[download-image]: https://img.shields.io/npm/dm/openchemlib.svg
[download-url]: https://www.npmjs.com/package/openchemlib
[license-image]: https://img.shields.io/npm/l/openchemlib.svg
[license-url]: https://github.com/cheminfo/openchemlib-js/blob/main/LICENSE

---
_Source: https://npm.io/package/openchemlib · Machine-readable twin of the npm.io package page. Health data is recomputed on every publish._