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Popular repositories Loading

  1. Effective-Coordination-Number Effective-Coordination-Number Public

    This script calculates the effective coordination number for almost any atomic structure file type.

    Python 6

  2. Surface-Atoms-Analysis Surface-Atoms-Analysis Public

    This python script analyzes which atoms of a molecule (in xyz file, for instance) are exposed to the vacuum and is exposed area.

    Python 2

  3. Quandarium Quandarium Public

    This package present several tools to deal with Quantum Chemistry (QC) data of molecular systems (non-periodic).

    Python 1

  4. johnatanmucelini.github.io johnatanmucelini.github.io Public

    My personal page.

    HTML

  5. Molecular-Binding-Algorithm-by-Surface-Mapping-MBASM Molecular-Binding-Algorithm-by-Surface-Mapping-MBASM Public

    The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).

    Python