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Andrew Abi-Mansour's Projects

pygran icon pygran

A DEM toolkit for rapid simulation & quantitative analysis of granular systems

pygran-analysis icon pygran-analysis

analysis module for PyGran: a DEM toolkit for rapid quantitative analysis of granular/powder systems

pygran-sim icon pygran-sim

Interoperability tool for running DEM simulation

qcelemental icon qcelemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

qcengine icon qcengine

Quantum chemistry program executor and IO standardizer (QCSchema).

qcfractal icon qcfractal

A distributed compute and database platform for quantum chemistry.

rpio icon rpio

RPIO is a GPIO toolbox for the Raspberry Pi.

sampl7 icon sampl7

Challenge details, inputs, and (eventually) results for the SAMPL7 series of challenges

staged-recipes icon staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

testing icon testing

A schema for classical molecular mechanics

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