Chemistry
The composition and properties of matter, reactions, and the use of reactions to create new substances.
See also: Chemistry in EDAM.
Related use cases
The ELN file format has been defined as an archive format to capture Electronic Laboratory Notebooks (ELN). The format is based on RO-Crate and is supported by a number of ELN softwares.
Galaxy is a platform for FAIR data analysis which supports the building and execution of workflows. It can import and export RO-Crates for both regular datasets and workflow executions.
Reproducible XAFS Analyses publishes reproducible X-ray absorption fine structure (XAFS) analyses using Galaxy RO-Crates, targeting the area of Catalysis.
Related tools
| Tool | Description | Status |
|---|---|---|
| aiida-rocrate | AiiDA plugin that allows exporting (parts) of the provenance graph as Research Object Crates. | planning |
| datalab | Electronic lab notebook and sample database for materials chemistry, with export of .eln RO-Crate archives | beta |
| eLabFTW |
Electronic lab notebook with import and export of .eln RO-Crate archives
|
production |
| ELN Metadata Diff Viewer |
Client-side web tool that shows differences in the RO-Crate metadata of .eln files changed in a GitHub pull request or GitLab merge request
|
prototype |
| ELN validator |
Validates ELN RO-Crates for electronic lab notebooks, checking archive structure, required metadata and the RO-Crate profile
|
beta |
| ELNPack |
Lightweight desktop app for writing an electronic lab notebook entry with Markdown notes, attachments and metadata, exported as an .eln RO-Crate archive compatible with eLabFTW
|
alpha |
| Galaxy |
Workflow system and web platform that exports Workflow RO-Crates and Workflow Run Crates of histories and invocations (from Galaxy 23.1.1)
|
production |
| kadi-apy |
Python library and CLI for the Kadi4Mat API, including export of records and collections as RO-Crates and import of .eln RO-Crate files
|
stable |
| Kadi4Mat |
Virtual research environment and electronic lab notebook for materials science, with export of records and collections as RO-Crates and import and export of .eln RO-Crate archives
|
production |
| NOMAD |
Materials science data repository and research data management platform that can import .eln RO-Crate archives
|
production |
| OpenSemanticLab | Semantic electronic lab notebook and knowledge management platform based on Semantic MediaWiki, with import and export of .eln RO-Crate archives | |
| PASTA ELN | Electronic lab notebook for experimental scientists, storing data locally with import and export of .eln RO-Crate archives | production |
| PyFlowBatt | Tools for analysing data from the flow battery lab at Empa, RO-Crate output | alpha |
| Reformulation Assurance | Formulation workbench that exports its records as .eln RO-Crate archives | alpha |
| RO-Crate interoperability profile libraries | Python (Pydantic) and Java libraries for creating and reading RO-Crates with embedded RDFS schemas for custom types, following the openBIS RO-Crate interoperability profile | alpha |
| RSpace |
Electronic lab notebook and inventory system with export and re-import of .eln RO-Crate archives
|
production |
| SampleDB | Web-based sample and measurement metadata database and electronic lab notebook, with import and export of .eln RO-Crate archives | production |
| SciLog | Electronic logbook for experiments at large-scale research facilities, with import and export of .eln RO-Crate archives | production |
See the tools and resources list for all RO-Crate tools.