Lab Profile

Integrating Quantum Mechanics, Machine Learning, and Atomistic Simulations to combat Neurodegenerative and Infectious Diseases.

Alzheimer's & Parkinson's Focus PET Tracers COVID-19 Therapeutics

Web Tools

Open-access computational tools and prediction servers developed at Neurocare-eLAB. All tools are free to use for academic and research purposes.

LIVE

LigGen

De novo ligand generation server. Generate novel, drug-like molecular structures using deep generative models.

Generative AI Drug Design
Open LigGen →
LIVE

PepMTL

Multi-task deep learning server for peptide property prediction across multiple endpoints in a single submission.

Multi-task Learning Peptides
Open PepMTL →
+ More tools coming soon