Contributor
Lalit Chauhan

SciML: Integrating PubChem Closely into Catalyst and SciML


Mentors
Chris Rackauckas, isaacsas, Torkel Loman, Anand Jain
Organization
NumFOCUS
Technologies
julia, PubChem API, Catalyst.jl
Topics
api, interface
The project will involve the creation of a new package that will provide an interface to query for chemical species and enzymes using the PubChem API. This will then be integrated into the existing library Catalyst.jl to improve upon its functionalities. This will prove in Improved accuracy in identifying chemical species and enzymes in reaction networks. By accessing the vast amount of data in the PubChem database, Catalyst.jl will be able to provide more accurate identification of chemical species and enzymes in reaction networks, reducing ambiguity and improving the quality of results.