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cff-version: 1.2.0
message: If you use this software, please cite it using the metadata below.
title: "ECNet: machine learning models for fuel property prediction"
authors:
- family-names: Kessler
given-names: Travis
orcid: https://orcid.org/0000-0002-7363-4050
email: travis.j.kessler@gmail.com
- family-names: Mack
given-names: John Hunter
orcid: https://orcid.org/0000-0002-5455-8611
email: Hunter_Mack@uml.edu
version: 4.1.5
license: MIT
repository-code: https://github.com/ecrl/ecnet
url: https://ecnet.readthedocs.io/en/latest/
abstract: >-
ECNet predicts fuel properties from molecular structure using QSPR
descriptors and multilayer perceptron models, with bundled property
datasets, tuning helpers, and analytical blend equations.
keywords:
- fuel property prediction
- QSPR
- machine learning
- cetane number
- PyTorch
preferred-citation:
type: article
authors:
- family-names: Kessler
given-names: Travis
orcid: https://orcid.org/0000-0002-7363-4050
- family-names: Mack
given-names: John Hunter
orcid: https://orcid.org/0000-0002-5455-8611
title: "ECNet: Large scale machine learning projects for fuel property prediction"
journal: Journal of Open Source Software
year: 2017
volume: "2"
issue: "17"
start: 401
doi: 10.21105/joss.00401
url: https://doi.org/10.21105/joss.00401