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1. nanotheorygroup/kaldo nanotheorygroup/kaldo Public

   Anharmonic Lattice Dynamics

   Python 125 24

2. nanotheorygroup/water_ice_nep nanotheorygroup/water_ice_nep Public

   Supplement files of paper "Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential"

   Jupyter Notebook 11 2

3. mluvspec mluvspec Public

   Support data and code for paper "UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning"

   Python 8

4. Supplyment_infor_4_my_publication Supplyment_infor_4_my_publication Public

   A markdown page summarizing the links of the paper and supplement data for my selective publications.

   1

5. tdmdpy tdmdpy Public

   TDMDpy: A python package to calculate thermodynamic quantities from MD simulations.

   Python 1