DCoupry/MOF-NN

Stars
3
Rank 3,963,521 (Top 79 %)
Language
Python
License
MIT License
Created about 7 years ago
Updated over 6 years ago

DCoupry/MOF-NN

DCoupry

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Code written for the paper "Crystal structure embedding in vector space: predicting Metal Organic Frameworks properties with Neural Networks"

autografs

Python library for generation of MOFs, COFs, Zeolites...

ChemDist_paper

Code and material necessary for the reproduction of the results in the paper "Application of deep metric learning to molecular similarity".

MPNNQSAR

A handmade implementation for a DenseNet-like graph network for chemical property predictions.