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1. CrystaLattE CrystaLattE Public

   Set of scripts to automate the calculation of crystal lattice energies.

   Python 12 11

2. carlosborca.github.io carlosborca.github.io Public

   My personal web page

   HTML

3. NameDaTaken NameDaTaken Public

   Auto-rename media according to their creation date and time à la Dropbox

   Python

4. libefp libefp Public

   Forked from ilyak/libefp

   Parallel implementation of the Effective Fragment Potential Method

   C

5. psi4/psi4 psi4/psi4 Public

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++ 966 446

6. Smiles4Psi Smiles4Psi Public

   Automated conformational search with a genetic algorithm interfaced with a Psi4-input generator for conformers that requires only SMILES as input

   Python 1 2