A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
Abstract In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges that make this process difficult to achieve in prac...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
BMC
2017-11-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s13321-017-0242-y |