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1. BigChemistry-RobotLab/phaseGP BigChemistry-RobotLab/phaseGP Public

   A Gaussian Process library for efficient phase diagram mapping using active learning and transfer learning. Intelligently select sampling points and leverage knowledge from related systems to minim…

   Jupyter Notebook 1

2. MultiPPIMI---Dual-Model-Fork MultiPPIMI---Dual-Model-Fork Public

   A fork of MultiPPIMI extended with dual-task capabilities for simultaneous classification and regression prediction of protein-protein interaction modulators (PPIMIs), with additional support for d…

   Python 3

3. De-Novo-Design-of-Protein-Protein-Interactions-Modulators De-Novo-Design-of-Protein-Protein-Interactions-Modulators Public

   Master's thesis on how to design protein-protein interactions modulators with deep learning models

   Python

4. Applications-of-Machine-Learning-to-the-LambdaCDM-model Applications-of-Machine-Learning-to-the-LambdaCDM-model Public

   Bachelors thesis written in spanish about applications of machine learning to the LambdaCDM model

   Jupyter Notebook

5. Schneider-Hackathon-Data-Science Schneider-Hackathon-Data-Science Public

   Data Science project for the Schneider Electric European Hackathon

   Jupyter Notebook