AspirinCode/papers-for-molecular-design-using-DL

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

FAIR Chemistry's library of machine learning methods for chemistry

List of papers about Proteins Design using Deep Learning

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property constraints.

Graphormer is a general-purpose deep learning backbone for molecular modeling.

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

A curated list of awesome AI tools, libraries, papers, datasets, and frameworks that accelerate scientific discovery — from physics and chemistry to biology, materials, and beyond.

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

The official sources for the RDKit library