Metadata-Version: 2.1
Name: openpom
Version: 0.1.2
Summary: Open-source Principal Odor Map models for Olfaction
Author: Aryan Amit Barsainyan
Author-email: aryan.barsainyan@gmail.com
License: MIT
License-File: LICENSE
Requires-Dist: pyrfume
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: rdkit
Requires-Dist: deepchem
Requires-Dist: torch
Requires-Dist: torchvision
Requires-Dist: torchaudio
Requires-Dist: dgllife
Requires-Dist: pytest
Requires-Dist: ipykernel
Requires-Dist: scikit-multilearn
Requires-Dist: typing

Open Principal Odor Map
Replication of the Principal Odor Map paper by Lee et al (2022).
The model is implemented such that it integrates with DeepChem (https://github.com/deepchem/deepchem). 

Contributors:
Aryan Barsainyan: Code, data cleaning, model development
Ritesh Kumar: data cleaning, hyperparameter optimisation
Pinaki Saha: discussions and feedback
Michael Schmuker: Conceptualisation, project lead

References:
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)
