Bingqing Cheng BingqingCheng

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1. ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.

   Python 153 31

3. The course materials for "Machine Learning in Chemistry 101"

   Jupyter Notebook 86 19

4. “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti

   Jupyter Notebook 32 13

5. This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations using the thermodynamic integration method.

   Jupyter Notebook 29 7