Machine Learning in Drug Discovery Resources 2024

A list of web-based interactive biological data visualizations.

You like pytorch? You like micrograd? You love tinygrad! ❤️

CSCI-171: Interactive Data Visualization with D3 course tought at Harvard - Spring semester 2016

Data Visualization Courses at Columbia Website

🧑‍🏫 60+ Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), ga…

A Curated Collection of Go Programming Books

Summaries and resources for Designing Machine Learning Systems book (Chip Huyen, O'Reilly 2022)

Microcourses hosted by the Acceleration Consortium for self-driving lab topics.

A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.

Why Momentum Really Works

The official sources for the RDKit library

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Message Passing Neural Networks for Molecule Property Prediction

Tutorial on how to use Ginkgo AI embedding APIs for scientific problems

A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.

Merlin Mann attempts to capture the best advice he's heard and learned from.

Listing of papers about machine learning for proteins.

List of computational protein design research labs