Replication of the Principal Odor Map paper by Lee et al (2022) [1]. The model is implemented such that it integrates with DeepChem.
Aryan Barsainyan: Code, data cleaning, model development
Ritesh Kumar: data cleaning, hyperparameter optimisation
Pinaki Saha: discussions and feedback
Michael Schmuker: Conceptualisation, project lead
A Principal Odor Map Unifies Diverse Tasks in Human Olfactory Perception.
Brian K. Lee, Emily J. Mayhew, Benjamin Sanchez-Lengeling, Jennifer N. Wei, Wesley W. Qian, Kelsie Little, Matthew Andres, Britney B. Nguyen, Theresa Moloy, Jane K. Parker, Richard C. Gerkin, Joel D. Mainland, Alexander B. Wiltschko
bioRxiv 2022.09.01.504602; doi: https://doi.org/10.1101/2022.09.01.504602