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Table of Contents
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Project Title

Small Molecule Ionic Lattices (SMILES ) Data Models.

Abstract

The goal of this project is to design and implement the solution for Airavata Data Catalog and the Data Parsers to analyze the metadata extracted from the Literature, Experimental and Computational records in support of Small Molecule Iconic Isolation Lattices ( SMILES ) Data. Particularly, this includes the data synchronization synchronisation with the SEAGrid Data Analysis Portal and the Gateway users.

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Solution Overview

Data Modeling

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Implementing a functional database

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  • Redesigning the Data Models.
  • Creating a robust database to reduce the latency.
  • Synchronizing the data with the Dashboard.

Timeline


TaskTimeline

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Divided into two-week sprints

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Deliverables
Study Airavata Django Portal Framework (ADPF)May 27, 2022
  • Setup the Django portal locally.
  • Study the procedure of the computational experiment
  • Understand the input file format to function the experiment.
  • Understand the Gaussian log.
  • Create a customized Django application.
Initializing the databasesJune 1, 2022
  • Setup the databases locally.
  • Understand the schema.
Data ModelingJune 15, 2022
  • Configure the data model.
  • Design the logical schema in protobuf format.
  • Trigger the empty values and define a specified error flag.
Functional DatabaseJuly 1, 2022
  • Create a functional database
  • Define a schema for the functional database.
  • Ingesting data from the primary databases.
Testing and ValidationsJuly 12, 2022
  • Build a test plan for the data affirmation
  • Execute tests and validate the data flow process.
Project report and Final DocumentationJuly 29, 2022
  • Describe the results, observations, and insights in the final documentation.

References

  1. Jira Issue:
    Jira
    serverASF JIRA
    serverId5aa69414-a9e9-3523-82ec-879b028fb15b
    keyAIRAVATA-3593

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