Licensing

This page tracks the licenses of datasets used in the training or testing of our neural network model for assigning partial charges. It also contains notes for the final license of the trained model.

Training data

Dataset	Link	License	Notes

Dataset	Link	License	Notes
enamine-10240, 50240	https://enamine.net/compound-libraries/diversity-libraries	?	Clarify terms of use
ChEMBL eps 70, ZINC eps 70	https://riniker.ethz.ch/Download.html https://www.research-collection.ethz.ch/handle/20.500.11850/230799	Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International	Must attribute Must distribute under CC-BY-NC-SA Non-commercial
PDB		CC0 1.0 Universal (CC0 1.0) Public Domain Dedication	no copyright
NCI-250K			Public domain?
SPICE		CC0 license
OpenFF ptms			Self-generated

Model

License: data license or code?
- CC0 and MIT appear analogous