This project aims at creating a framework consisting of following modules :

  • Script to setup MongoDB based database storing parsed results from computational chemistry output files (using cclib to parse data from files).
  • Web API to perform search and calculation queries over this database.
  • A web interface allowing researchers/students to query details about molecules from this data repository and add files to it.

Organization

Student

nitish6174

Mentors

  • Geoff Hutchison
close

2017