Supporting material for the "pytest tips and tricks for a better testsuite" training

SciPy library main repository

Library to parametrize, setup, run, analyze and manage MD simulations at high-throughput scale

$ A blazingly fast Zsh syntax highlighter 🌈

Repository containing different resources related to the BayBE ecosystem.

A reactive notebook for Python — run reproducible experiments, query with SQL, execute as a script, deploy as an app, and version with git. Stored as pure Python. All in a modern, AI-native editor.

A lightweight AutoML framework for small datasets (<1k samples) with high dimensionality (number of features).

Bayesian optimization in PyTorch

Accelerate 2024 Workshop on Bayesian Optimization Recipes With BayBE

Foundry DevTools

Bayesian Optimization and Design of Experiments