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1. pycp2k pycp2k Public

   Python Cp2k interface

   Python 100 32

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++ 462 97

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