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1. PV_paper PV_paper Public

   Repo for the paper "The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?"

   Jupyter Notebook 1

2. ChemFGW ChemFGW Public

   Forked from tvayer/FGW

   Adaptation of original Fused Gromov-Wasserstein (FGW) library for Optimal Transport, for comparing chemical structures

   Python 1

3. FGW_for_PVs FGW_for_PVs Public

   Jupyter Notebook 1

4. cms-workshop cms-workshop Public

   Repository for exercises in the MOLSSI Python Scripting for Computational Molecular Science workshop

   Jupyter Notebook

5. geometry-analysis-example geometry-analysis-example Public

   Forked from MolSSI-Education-Archive/geometry-analysis-example

   This is a sample repository of the geometry analysis project in the Python Scripting for CMS workshop. Used as the example repository for students to fork during the GitHub lesson.

   Python

6. mattheww98.github.io mattheww98.github.io Public

   Forked from bencentra/centrarium

   Codebase for my personal website

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