pycrystal (pypi): Utilities for ab initio modeling suite CRYSTAL
Keywords: materials|informatics|crystal|structures|crystal-structure|crystallography|CRYSTAL|ab-initio|ab-initio-simulations|first-principles|materials-science|abinitio|abinitio-simulations|atomistic-simulations|computational-chemistry|computational-materials|crystal-ab-initio|emsl|gaussian|gaussian-lcao