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1. Hartwig-Group/Libra-ML Hartwig-Group/Libra-ML Public

   Libra-ML is a python package for predicting the regioselectivity of olefin hydroformylation using machine learning.

   Python

2. Hartwig-Group/Libra-ML-Modeling Hartwig-Group/Libra-ML-Modeling Public

   This repository contains all of the datasets, code, and scripts to reproduce the models in "A 3D, Structure-Based, Deep Learning Approach for Predicting the Regioselectivity of Transition-Metal Cat…

   Jupyter Notebook 1 1

3. Hartwig-Group/AbbVie-CN-Couplings-QSRR-and-HTE Hartwig-Group/AbbVie-CN-Couplings-QSRR-and-HTE Public

   Code associated with the paper "Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-catalyzed C-N Cross-Coupling"

   Jupyter Notebook

4. Vis4SciML/Landscaper Vis4SciML/Landscaper Public

   Landscaper is a comprehensive Python framework designed for exploring the loss landscapes of deep learning models.

   Python 47

5. MolSelector MolSelector Public

   A web app to quickly triage molecule files.

   Python