Licensing
- Lily Wang
Analytics
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 |
|---|---|---|---|
enamine-10240, 50240 | ? |
| |
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 |
|
PDB |
|
| |
NCI-250K |
| Public domain? Drug Synthesis and Chemistry Branch (DSCB) | Developmental Therapeutics Program (DTP) | |
SPICE |
| CC0 license |
|
OpenFF ptms |
|
| Self-generated |
Model
License: data license or code?
CC0 and MIT appear analogous