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@SINGROUP

Surfaces and Interfaces at the Nanoscale

Pinned

  1. pycp2k Public

    Python Cp2k interface

    Python 49 19

  2. PyVAFM Public

    Python Virtual Atomic Force Microscope

    Python 10 1

  3. Mutual Information codes

    Python 19 6

  4. dscribe Public

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    C++ 255 56

  5. matid Public

    MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.

    Python 19 4

  6. lammpser Public

    Bottom-up topology maker for LAMMPS

    Python 4

Repositories

  • dscribe Public

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    C++ 255 Apache-2.0 56 6 0 Updated Mar 30, 2022
  • Jupyter Notebook 0 MIT 0 0 0 Updated Mar 10, 2022
  • matid Public

    MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.

    Python 19 Apache-2.0 4 1 0 Updated Mar 4, 2022
  • Python 0 0 0 1 Updated Mar 2, 2022
  • KPFM_sim Public

    A set of Python modules for running DFT level KPFM simulations using CP2k and storing the results to a relational database (SQLite).

    Python 0 GPL-3.0 0 0 0 Updated Feb 28, 2022
  • CP2k_mtools Public

    This Python package is intended to help running multiple CP2k calculations for the same system or multiple similar systems.

    Python 1 GPL-3.0 1 0 0 Updated Feb 25, 2022
  • ED-AFM Public

    Electrostatic Discovery Atomic Force Microscopy

    Python 1 MIT 0 0 0 Updated Feb 24, 2022
  • DensityTools Public

    Tools to ease density generation and predictions from MD runs

    Python 2 LGPL-3.0 1 0 0 Updated Feb 4, 2022
  • Graph-AFM Public

    Machine learning molecule graphs from atomic force microscopy images.

    Python 0 0 0 0 Updated Feb 1, 2022
  • pycp2k Public

    Python Cp2k interface

    Python 49 LGPL-3.0 19 3 0 Updated Dec 8, 2021

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