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Official implementation of the paper “Limeade: Let integer molecular encoding aid”
An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science.
Kedro is a toolbox for production-ready data science. It uses software engineering best practices to help you create data engineering and data science pipelines that are reproducible, maintainable,…
Luigi is a Python module that helps you build complex pipelines of batch jobs. It handles dependency resolution, workflow management, visualization etc. It also comes with Hadoop support built in.
Run context-aware commands from your source code comments
Chaos Monkey is a resiliency tool that helps applications tolerate random instance failures.
This is the development home of the workflow management system Snakemake. For general information, see
A NeSy Framework for Learning with Requirements
Data Learning meets Computational Modelling: Successfully using Physics-Informed Neural Networks for Biomedical Applications. A MICCAI 2024 tutorial in Marrakesh, Morocco (6th October 2024)
Book about interpretable machine learning
Represent trained machine learning models as Pyomo optimization formulations
Code and technical appendix for the paper "Neuro-Symbolic Learning of Answer Set Programs from Raw Data".
Kernel structure discovery research code - likely to be unstable
An Intuitive Tutorial to Gaussian Processes Regression
High-Performance Symbolic Regression in Python and Julia
Efficient global optimization toolbox in Rust: bayesian optimization, mixture of gaussian processes, sampling methods
This repository contains the code and slides associated with the Sargent Centre PSE Summer School on Bayesian Optimization held in September 2024.
Pen and paper exercises in machine learning
Firedrake is an automated system for the portable solution of partial differential equations using the finite element method (FEM)