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2d-3d_descriptors

api_call_for_quicksight_tables

mols

msa-representations

This code enables user to properly represent Multiple sequence alignment results in a graphical manner. This is essentially required when publishing research papers, when you want to show the alignment in the most condensed manner.

odorant_analysis

This repository includes a set of analysis based on Odorants.

odorant_analysis_rep

This repository includes multiple analysis methods for Odorant classification and selection

or51e2_dessertation

pca_odorants

This code first uses SMILES strings to generate rdmol and inchikeys of the given molecules, in order to find the Mordred descriptors of these molecules. Then PCA is performed after selection and filtration of the molecules.

pubchempy_app

This repository uses PubchemPy to generate usable datasets.