A Python Automated Machine Learning tool that optimizes machine learning pipelines using genetic programming.

Flax is a neural network library for JAX that is designed for flexibility.

Notebooks about Bayesian methods for machine learning

A scikit-learn-compatible library for estimating prediction intervals and controlling risks, based on conformal predictions.

Differentiable, Hardware Accelerated, Molecular Dynamics

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Neural Network Force Field based on PyTorch

Boltzmann Generators and Normalizing Flows in PyTorch

An unsupervised image clustering algorithm that uses VGGNet for image transformation. Python, scikit-learn and tensorflow.

Finding similar images in the Holidays dataset

A high-dimensional Kolmogorov-Smirnov distance for comparing high dimensional distributions