nrflynn2/ml-drug-discovery

The official repository for the book "Machine Learning for Drug Discovery" (Manning Publications)

/ 100

Established

No Package No Dependents

Maintenance 10 / 25

Adoption 9 / 25

Maturity 16 / 25

Community 19 / 25

Stars

Forks

Language

Jupyter Notebook

License

Apache-2.0

Category

Last pushed

Jan 09, 2026

Commits (30d)

Get this data via API

curl "https://pt-edge.onrender.com/api/v1/quality/ml-frameworks/nrflynn2/ml-drug-discovery"

Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.

Related frameworks

ersilia-os/ersilia

The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.

NVIDIA/bionemo-framework

BioNeMo Framework: For building and adapting AI models in drug discovery at scale

RyanWangZf/PyTrial

PyTrial: A Comprehensive Platform for Artificial Intelligence for Drug Development

CDDLeiden/DrugEx

De Novo Drug Design with RNNs and Transformers

PNNL-CompBio/coderdata

Dataset package for facile training and testing of machine learning/AI algorithms that predict...