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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 59 6

2. flames flames Public

   A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE

   Python 7

3. 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 28 2

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

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

   Python 6

5. abntex_iq abntex_iq Public

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

   TeX

6. ForceFields ForceFields Public

   A repository to hold forcefields for molecular mechanics calculations with RASPA

   Makefile 16 4