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lenhanpham/README.md

This is Github space of Le Nhan Pham, a theoretical, compuational, and physical chemist.

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  1. water-contact-angle water-contact-angle Public

    This piece of python code is used to calculate the contact angle of a droplet on the surface of materials. The code can be used for calculation of any kinds of liquid contact angles as long as a dr…

    Python 4 1

  2. PIP-NN-PyTorch-Tutorial PIP-NN-PyTorch-Tutorial Public

    A Tutorial of Permutation Invariant Polynomial Neural Network (PIP-NN), implemented in PyTorch.

    Jupyter Notebook 3

  3. lenhanpham.github.io lenhanpham.github.io Public

    HTML 1

  4. analysis-scripts analysis-scripts Public

    Jupyter Notebook 1

  5. counting-water-molecules counting-water-molecules Public

    This script is used for counting number of water molecules within a specific region

    Python 1

  6. MOKIT MOKIT Public

    Forked from 1234zou/MOKIT

    Orbital transfer and automatic multi-reference calculation for quantum chemistry

    Fortran 1