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Pinned

  1. gimbal gimbal Public

    Properties and transformations of 3D molecular geometries

    Python 1

  2. schuurman-group/nomad schuurman-group/nomad Public

    Multi-state Dynamics using Trajectory Basis Functions

    Python 3 4

  3. fmsinterpreter fmsinterpreter Public

    Python

  4. schuurman-group/partdens schuurman-group/partdens Public

    Fortran

  5. Generate template files for python Generate template files for python
    1
    #!/usr/bin/env python
    2
    """
    3
    Script for generating an unfilled python template.
    4
    5
    Usage
  6. polyene-meci-dataset polyene-meci-dataset Public