A library for scientific machine learning and physics-informed learning

Efficient Retrieval Augmentation and Generation Framework

SchNet - a deep learning architecture for quantum chemistry

Robin: A multi-agent system for automating scientific discovery

Python library for reading and writing scientific data format

Tsetlin Machine for Logical Learning and Reasoning With Graphs

Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.

Python Diffraction Data Analysis Suite (pydidas) which merges toolkits and tries to supply broad functionality for X-ray diffraction data analysis.