UMass Lowell Energy and Combustion Research Laboratory

Artificial bee colony optimizer for user-defined parametric fitness functions

QSPR-based PyTorch models for fuel property prediction, with bundled datasets and analytical blend rules

Python API for PaDEL-Descriptor molecular descriptor and fingerprint calculation

Molecular graph neural networks for predicting chemical properties, with a focus on fuels

A comprehensive database of combustion properties for over 1,200 compounds

Python scripts/notebooks for ECRL's publications