#De-novo-drug-design

MorganCThomas

MolScore

An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

KeenThera

SECSE

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

molML

s4-for-de-novo-drug-design

The official codebase of the paper "Chemical language modeling with structured state space sequence models"

JanoschMenke

metis

Python-based GUI to collect Feedback of Chemist in Molecules