awesome-chemical-data

by Harvard Biomedical Data

by the Gurdon institute of the University of Cambridge

Comparison of ELNs

by the Labii ELN

on Wikipedia

: Developed by the , couchDB backend, modular frontend in JavaScript.

chemotion ELN

: Developed by Nicole Jung's group at KIT, with focus on organic chemistry. Written in JavaScript/Ruby

: General purpose LIMS/ELN developed at ETH Zuerich, allows to add custom plugins and direct data analysis in Jupyter notebooks. Core written in Java.

: The ELN used for the project

: More than just an ELN. Bluesky is a Python ecosystem that can be used for experiment control and collection of scientific data and metadata, being developed at national labs with synchrotrons, there is a focuss on streaming data. .

Materials Data Curation System (MDCS)

: A framework for capturing, sharing and transforming materials data in structured formats such as XML, based on user-selected templates. Developed at NIST

: an open source lab notebook platform with support for inventory management, scheduling and REST APIs (amongst other things). Written with PHP/MySQL

Chemical Methods Ontology

: Describes methods used to collect data in chemical experiments, based on the IUPAC Orange Book in ontology language (OBO and OWL)

: Ontology, Vocabularies, Metadata for Chemical Analysis. 😴

: American Society for Testing and Materials (ASTM) XML standard for analytical chemistry and biological data, with

RXNO: reaction ontologies

: Name reaction ontology

: Molecular processes that underlie the name reaction ontology RXNO

ord-schema

: Schema for organic reactions developed for the open reaction database