Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

Repository for suggesting new lineages that should be added to the current scheme

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

Deep learning for molecules and materials book

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

A Knowledge Graph of Common Chemical Names to their Molecular Definition

Pyro models of SARS-CoV-2 variants

code for SeqDance/ESMDance, biophysics-informed protein language models

🥳emojis in chemistry⚗️🥳

Molecules