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
- 1
Refactor STONED
#8 opened by dwillhelm - 6
Substructure preservation
#5 opened by gogakg - 3
- 6
Make code pip-installable
#1 opened by cthoyt - 2
Invalid valence of generated molecules
#3 opened by Lydia-bka - 2
Invalid mutated SELFIES
#2 opened by whitead