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1. ML-VEG ML-VEG Public

   Forked from achary01su/ML-VEG

   This repository contains the data and the scripts used for the manuscript "Machine Learning Approach To Vertical Energy Gap in Redox Processes".

   Python

2. AIMD-MD-classificaton-in-scikit-learn AIMD-MD-classificaton-in-scikit-learn Public

   Jupyter notebooks with AIMD-MD classification in scikit-learn

   Jupyter Notebook

3. CSCI596_FINAL CSCI596_FINAL Public

   Proposal for a new implementation for PAOs coupled with a neural network in Q-Chem

   1

4. qm_2019_sss_1 qm_2019_sss_1 Public

   Forked from MolSSI-Education/qm_2019_sss_1

   Python

5. MolSSI_Summer_School_2019 MolSSI_Summer_School_2019 Public

   Jupyter Notebook

6. parallel-programming parallel-programming Public

   Forked from MolSSI-Education/parallel-programming

   Python