aspuru-guzik-group/stoned-selfies

This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

Jupyter Notebook

Issues

Refactor STONED
#8 opened a year ago by dwillhelm
1
Substructure preservation
#5 opened 2 years ago by gogakg
6
Define our own SELFIES alphabet for mutations
#4 opened 2 years ago by Lydia-bka
3
Make code pip-installable
#1 opened 4 years ago by cthoyt
6
Invalid valence of generated molecules
#3 opened 3 years ago by Lydia-bka
2
Invalid mutated SELFIES
#2 opened 3 years ago by whitead
2