VIP cheatsheet for Stanford's CME 295 Transformers and Large Language Models

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

MOLEonline is a fast service for calculating tunnels and pores in biomacromolecular structures

A repository to describe the RS quality indicators used in the EVERSE project

The Ultimate Toroidal Propeller Generator is an open source project that provides a way to generate STL files of toroidal drone propellers.

This OpenSCAD library was created to make it easy to create board game inserts with lids for either horizontal or vertical storage, without any programming required.

Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3

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

ChatGPT in PyMOL now!

The world's first open source quantum computing board game

PyMissense creates the pathogenicity plot and modified pdb as shown in the AlphaMissense paper for custom proteins.

Computational chemistry benchmark data sets for non-covalent interactions

Molecular Orbital PACkage

Atlas of chemistry webpage

Generate nice icons of molecules with a python script

🥳emojis in chemistry⚗️🥳

Curses based ASCII molecule viewer for linux terminals.

Molecules

Natural language computational chemistry command line interface.

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

Make a bunch of molecules

Molecular bloom filter tool

Files and utilities for protein-emoji

European Registry of Materials

Tools to scrape publications & their metadata from pubmed, arxiv, medrxiv, biorxiv and chemrxiv.

A Knowledge Graph of Common Chemical Names to their Molecular Definition

EEM parameters

Deep learning for molecules and materials book