AlphaFold 3 inference pipeline.

A trainable PyTorch reproduction of AlphaFold 3.

Elementary Multiperspective Material Ontology (EMMO)

🙈 Volkswagen detects when your tests are being run in a CI server, and makes them pass.

Tile primitives for speedy kernels

AI-powered ab initio biomolecular dynamics simulation

Units of measurement -- type-safe zero-cost dimensional analysis

A new type of shell

UF3: a python library for generating ultra-fast interatomic potentials

Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics

Simple multithreading in julia

A package for graphs with vertex labels and metadata in Julia

Julia installer and version multiplexer

SO3krates and Universal Pairwise Force Field for Molecular Simulation

Extensible periodic table for python

Content for intro to Julia lesson at MolSSI workshop on Julia for computational materials and molecular science!

Render markdown on the CLI, with pizzazz! 💅🏻

i-PI: a universal force engine

A minimalist Julia package for modular dynamical systems simulation. Work in Progress :-)

Code for the manim-generated scenes used in 3blue1brown videos

ORB forcefield models from Orbital Materials

Thin wrapper around NCBI's BLAST+ CLI https://www.ncbi.nlm.nih.gov/books/NBK569856/

User friendly and accurate binder design pipeline

Random walk unit with memory

Repository of Quantum Datasets Publicly Available

Foster the development of impactful AI models in drug discovery.

Paper backup of files using QR codes