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Pinned

  1. PyVibMS PyVibMS Public

    A PyMOL plugin for visualizing vibrations in molecules and solids

    Python 35 8

  2. LModeA-nano LModeA-nano Public

    calculate chemical bond strength in solids, surfaces and molecules

    Python 21 2

  3. zorkzou/UniMoVib zorkzou/UniMoVib Public

    a unified interface for molecular harmonic vibrational frequency calculations

    Fortran 27 7

  4. torchANI2Gaussian torchANI2Gaussian Public

    scripts to interface TorchANI to Gaussian package

    Python 2 2

  5. Three-Arm-Turnstile-Assistant Three-Arm-Turnstile-Assistant Public

    PyMOL plugin to modify molecular structure via turnstile rotation

    Python 1

  6. RAG-IF RAG-IF Public

    Forked from Schlicklab/RAG-IF

    RAG-IF (RNA Inverse Folding based on RNA-As-Graph Framework) code repository

    Python