[jira] [Commented] (AIRAVATA-3593) SMILES data Models

["Sudhakar Pamidighantam (Jira)" <ji...@apache.org>]

    [ https://issues.apache.org/jira/browse/AIRAVATA-3593?page=com.atlassian.jira.plugin.system.issuetabpanels:comment-tabpanel&focusedCommentId=17536776#comment-17536776 ] 

Sudhakar Pamidighantam commented on AIRAVATA-3593:
--------------------------------------------------

[^molecule.proto]

These are draft data models which will be the basis that need extensions and modifications. There are others models being developed for other types data for literature and literature extracted data.

> SMILES data Models
> ------------------
>
>                 Key: AIRAVATA-3593
>                 URL: https://issues.apache.org/jira/browse/AIRAVATA-3593
>             Project: Airavata
>          Issue Type: Epic
>            Reporter: Suresh Marru
>            Priority: Major
>              Labels: gsoc2022, mentor
>         Attachments: Proposal Draft-1.pdf, Proposal architecture draft-1.png, calc_info.proto, calc_properties.proto, calc_topology.proto, molecule.proto
>
>
> Extend Airavata Data Catalog to record metadata extracted from experimental and computational data in support of the small-molecule ionic isolation lattices SMILES data.
> Suggested flow:
> VueJS user interfaces -> Django App -> API Server -> Data Orchestrator -> Data Lake
> Refer to [https://github.com/apache/airavata-data-lake]
> The data models should be developed in JSON-LD [https://json-ld.org/] 



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