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@SINGROUP

Surfaces and Interfaces at the Nanoscale

Pinned

  1. pycp2k pycp2k Public

    Python Cp2k interface

    Python 83 24

  2. PyVAFM PyVAFM Public

    Python Virtual Atomic Force Microscope

    Python 13 1

  3. MutualInformation MutualInformation Public

    Mutual Information codes

    Python 30 8

  4. dscribe dscribe Public

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

    C++ 374 86

  5. matid matid Public archive

    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 23 6

  6. Atom_manipulation_with_RL Atom_manipulation_with_RL Public

    Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight experience replay, and emphasize recent experience replay to aut…

    Jupyter Notebook 9 1

Repositories

Showing 10 of 43 repositories
  • dscribe Public

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

    C++ 374 Apache-2.0 86 9 0 Updated Apr 23, 2024
  • ml-spm Public

    Machine learning for scanning probe microscopy

    Python 1 MIT 0 5 0 Updated Apr 23, 2024
  • ASD-STM Public

    Automated Structure Discovery for Scanning Tunneling Microscopy

    Python 0 MIT 0 1 0 Updated Apr 22, 2024
  • matid Public archive

    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 23 Apache-2.0 6 0 0 Updated Nov 28, 2023
  • Runner Public

    Tools to easly schedule atomistic simulation workflow

    Python 1 1 0 0 Updated Nov 8, 2023
  • ProbeParticle_workflow Public

    A workflow for double ProbeParticle method using OpenCL and complex_tip branch of ProbeParticle method

    Jupyter Notebook 1 1 0 0 Updated Oct 20, 2023
  • 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 Aug 1, 2023
  • KPFM_FEM Public

    This Python package is intended to help running finite element method (FEM) calculations related to modeling the macroscopic part of the KPFM probe and storing the results.

    Python 2 GPL-3.0 2 1 0 Updated Jul 26, 2023
  • Graph-AFM Public

    Machine learning molecule graphs from atomic force microscopy images.

    Python 12 1 0 0 Updated May 25, 2023
  • Atom_manipulation_with_RL Public

    Autonomous atom manipulation - in this project, we use deep reinforcement learning algorithms including soft actor-critic, hindsight experience replay, and emphasize recent experience replay to automatize atom manipulation in the Createc scanning tunneling microscope system.

    Jupyter Notebook 9 MIT 1 0 0 Updated Mar 6, 2023

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