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1. pyCOFBuilder pyCOFBuilder Public

   A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach

   Python 50 3

2. IBM/pymser IBM/pymser Public

   A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte Carlo adsorption simulations.

   Jupyter Notebook 22 2

3. neumannrf/electronic-structure-experiment neumannrf/electronic-structure-experiment Public

   Uses the CP2K software package to run DFT simulations on nanoporous materials.

   Python 3

4. abntex_iq abntex_iq Public

   Modelo ABNTeX para a utilização na UFRJ, mais especificamente na PGQu do IQ.

   TeX

5. ForceFields ForceFields Public

   A repository to hold forcefields for molecular mechanics calculations with RASPA

   Makefile 13 3