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@SINGROUP

Surfaces and Interfaces at the Nanoscale

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  1. pycp2k pycp2k Public

    Python Cp2k interface

    Python 105 33

  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++ 474 99

  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 16 2

Repositories

Showing 10 of 49 repositories
  • octopus-tip-guide Public

    Files to simulate a TERS metallic tip with TD-DFT, using the Octopus code.

    SINGROUP/octopus-tip-guide's past year of commit activity
    Python 1 MIT 0 0 0 Updated Aug 4, 2026
  • StyleTransAugment Public

    Improving atomic force microscopy structure discovery via style-translation

    SINGROUP/StyleTransAugment's past year of commit activity
    Python 0 GPL-3.0 0 1 0 Updated Jul 29, 2026
  • SMARTERS Public
    SINGROUP/SMARTERS's past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Jul 20, 2026
  • MAD-SURF Public

    Repository for work on General Machine Learning Interatomic Potential for molecular adsorption on metal surfaces-

    SINGROUP/MAD-SURF's past year of commit activity
    Python 4 Apache-2.0 0 0 0 Updated May 14, 2026
  • dscribe Public

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

    SINGROUP/dscribe's past year of commit activity
    C++ 474 Apache-2.0 99 15 2 Updated Apr 18, 2026
  • Runner Public

    Tools to easly schedule atomistic simulation workflow

    SINGROUP/Runner's past year of commit activity
    Python 1 1 0 0 Updated Mar 3, 2025
  • ml-spm Public

    Machine learning for scanning probe microscopy

    SINGROUP/ml-spm's past year of commit activity
    Python 3 MIT 1 5 0 Updated Feb 6, 2025
  • SINGROUP/relationformer-hack's past year of commit activity
    1 21 1 0 Updated Dec 17, 2024
  • AutoOSS Public template

    A software infrastructure to automate on-surface synthesis in STM

    SINGROUP/AutoOSS's past year of commit activity
    Jupyter Notebook 3 MIT 0 0 0 Updated Dec 13, 2024
  • ASD-STM Public

    Automated Structure Discovery for Scanning Tunneling Microscopy

    SINGROUP/ASD-STM's past year of commit activity
    Python 2 MIT 0 2 0 Updated Apr 22, 2024

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