eLabFTW Chemistry plugin

Description

This image contains two services:

1. Ketcher molecule editor service
2. Fingerprinting service with OpenBabel

Build

docker build -t elabftw/chem-plugin .

Usage

Deploy it on the same network as eLabFTW and configure eLabFTW to use this service.

With HTTPS

Use TLS_KEYFILE and TLS_CERTFILE env vars pointing to the key/cert files.

Acknowledgements

The fingerprinting part of this project was initialized by Tanguy Le Carrour from Easter-Eggs. Thank you Tanguy for the MVP and discussions!