Metadata-Version: 2.4
Name: openpom
Version: 1.0.0
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: dgllife
Requires-Dist: pytest
Requires-Dist: ipykernel
Requires-Dist: scikit-multilearn
Requires-Dist: deepchem
Requires-Dist: torch
Requires-Dist: dgl
Dynamic: author
Dynamic: author-email
Dynamic: description
Dynamic: license
Dynamic: license-file
Dynamic: requires-dist
Dynamic: summary

Open Principal Odor Map

https://github.com/ARY2260/openpom

Replication of the Principal Odor Map paper by Brian K. Lee et al. (2023).
The model is implemented such that it integrates with DeepChem (https://github.com/deepchem/deepchem). 

Contributors:

Aryan Amit Barsainyan, National Institute of Technology Karnataka, India: code, data cleaning, model development

Ritesh Kumar, CSIR-CSIO, Chandigarh, India: data cleaning, hyperparameter optimisation

Pinaki Saha, University of Hertfordshire, UK: discussions and feedback

Michael Schmuker, University of Hertfordshire, UK: 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 A. Little,
Matthew Andres, Britney B. Nguyen, Theresa Moloy, Jacob Yasonik, Jane K. Parker, Richard C. Gerkin,
Joel D. Mainland, Alexander B. Wiltschko

Science381,999-1006(2023).DOI: [10.1126/science.ade4401](https://doi.org/10.1126/science.ade4401)
bioRxiv 2022.09.01.504602; doi: [https://doi.org/10.1101/2022.09.01.504602](https://doi.org/10.1101/2022.09.01.504602)
