Deep learning for protein science

Set up your GitHub Actions workflow with conda via miniconda

Molecular Processing Made Easy.

A generative model for programmable protein design

Practical Cheminformatics Tutorials

Production-Grade Container Scheduling and Management

The little ASGI framework that shines. 🌟

MessagePack serializer implementation for Python msgpack.org[Python]

An RFC for a new series of HTTP status codes covering developer fouls.

Optional static typing for Python

Allows you to maintain all the necessary cruft for packaging and building projects separate from the code you intentionally write. Built on-top of, and fully compatible with, CookieCutter.

Github Action which downloads and runs sonar-scanner cli with custom parameters to start Sonarqube scan.

The official sources for the RDKit library

The Open-Source Server for Conda Packages

The fast conda package builder, based on mamba

The Fast Cross-Platform Package Manager

Lightweight lockfile for conda environments

iTerm2 is a terminal emulator for Mac OS X that does amazing things.

Dihedral scanner with wavefront propagation

Systematic force field optimization.

FastAPI framework, high performance, easy to learn, fast to code, ready for production

A comprehensive macromolecular library

Drop-in MessagePack support for ASGI applications and frameworks

Molecular Visualization powered by Plotly

QCArchive website (production on Azure)

History information for the data in the MolSSI QCArchive Server (MQCAS)

Automated collection and reporting of citations for used software/methods/datasets

Differentiate all the things!

Deep universal probabilistic programming with Python and PyTorch

database of all Intel cpus