awesome-chemical-data
Chemical Data Hub
A curated list of resources and tools for collecting, sharing, and standardizing chemical data in various formats.
Curated list of known efforts in collecting and/or curating of chemical/materials data
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last commit: about 4 years ago
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awesome-listschemistrydatadata-curationdata-schemamaterials-scienceontology
Awesome data in (experimental) chemistry and materials science / Electronic lab notebooks (ELN) / Laboratory infrastructure management systems (LIMS) / Overviews | |||
| ELN comparison grid | by Harvard Biomedical Data | ||
| ELN guidance | by the Gurdon institute of the University of Cambridge | ||
| Comparison of ELNs | 22 | almost 3 years ago | by the Labii ELN |
| List of ELNs | on Wikipedia | ||
Awesome data in (experimental) chemistry and materials science / Electronic lab notebooks (ELN) / Laboratory infrastructure management systems (LIMS) / ELNs | |||
| c6h6 | : Developed by the , couchDB backend, modular frontend in JavaScript. | ||
| chemotion ELN | 133 | 1 day ago | : Developed by Nicole Jung's group at KIT, with focus on organic chemistry. Written in JavaScript/Ruby |
| openBIS | : General purpose LIMS/ELN developed at ETH Zuerich, allows to add custom plugins and direct data analysis in Jupyter notebooks. Core written in Java. | ||
| LabTrove | : The ELN used for the project | ||
| bluesky | : 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) | 38 | 26 days ago | : A framework for capturing, sharing and transforming materials data in structured formats such as XML, based on user-selected templates. Developed at NIST |
| eLabFTW | : an open source lab notebook platform with support for inventory management, scheduling and REST APIs (amongst other things). Written with PHP/MySQL | ||
Awesome data in (experimental) chemistry and materials science / Schemas/Ontologies / Overviews | |||
| Pachl, C.; Frank, N.; Breitbart, J.; Bräse, S. Overview of Chemical Ontologies. arXiv:2002.03842 [cs] 2020. | |||
Awesome data in (experimental) chemistry and materials science / Schemas/Ontologies / Analytical methods | |||
| Chemical Methods Ontology | 12 | about 1 year ago | : Describes methods used to collect data in chemical experiments, based on the IUPAC Orange Book in ontology language (OBO and OWL) |
| Chemical Analysis Metadata Platform | : Ontology, Vocabularies, Metadata for Chemical Analysis. 😴 | ||
| Analytical Information Markup Language (AnIML) | : American Society for Testing and Materials (ASTM) XML standard for analytical chemistry and biological data, with | ||
Awesome data in (experimental) chemistry and materials science / Schemas/Ontologies / Organic reactions | |||
| RXNO: reaction ontologies | 40 | over 1 year ago | : Name reaction ontology |
| Molecular process ontology (MOP) | : Molecular processes that underlie the name reaction ontology RXNO | ||
| ord-schema | 96 | about 11 hours ago | : Schema for organic reactions developed for the open reaction database |
tilde-lab/awesome-materials-informatics