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  1. ReactionFlow ReactionFlow Public

    Automated reaction discovery and pathway refinement for atomistic trajectories

    Python

  2. ELFNet ELFNet Public

    Predict electron localization function grids for crystalline materials from superposed atomic densities.

    Python 1

  3. sbanik2/ElectrideDetectives sbanik2/ElectrideDetectives Public

    An Agentic Swarm Framework for Electride Materials Discovery

    Jupyter Notebook

  4. layer-toolkit layer-toolkit Public

    Build layered VASP inputs and analyze electron localization and bonding in layered materials.

    Python 2

  5. calypso-setup calypso-setup Public

    Automate input setup for CALYPSO structure searches, including configurable two-dimensional searches.

    Python 2 1

  6. LaTeX-beginner-CV-template LaTeX-beginner-CV-template Public

    Beginner-friendly LaTeX CV and resume template with step-by-step Overleaf setup, drag-and-drop upload, and troubleshooting tips.

    TeX 1