GitHub repository: Elliot-Chan-120/NOCTURNAL-v2.2.0
Primary language: Python
Description: NOCTURNAL: Exploring the dark chemical space.  A ChEMBL navigation-aided interface aiming to accelerate early drug discovery by scouting biological targets, building ML models on potency vs. molecular fingerprints, predicting compound potency, and generating optimized drug analogs using MutaGen, an ML-based stochastic-heuristic algorithm system.