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1. GoldDIGR GoldDIGR Public

   Open-Access (Au/Gold) Data InteGratoR (GoldDIGR): Agent for downloading and analyzing open-access data on Chemistry

   Python

2. snurr-group/gRASPA snurr-group/gRASPA Public

   GPU Monte Carlo Simulation Code with a taste of RASPA

   C++ 91 25

3. gRASPA_pybind gRASPA_pybind Public

   pybind extension for gRASPA

   Jupyter Notebook 4 2

4. snurr-group/GCMC-Gelman-Rubin-Wrapper snurr-group/GCMC-Gelman-Rubin-Wrapper Public

   A wrapper that runs GCMC simulation using RASPA, and calculates the Gelman-Rubin convergence factor after the simulation is done and restart the simulation if needed.

   Python 3 1

5. AutoJIT-gRASPA AutoJIT-gRASPA Public

   Agentic optimization for your gRASPA before you run a million jobs

   C++ 6

6. gRASPA-Agent-HTC gRASPA-Agent-HTC Public

   Experiment with gRASPA-HTC code, with the help from a smarter mind and a strict expert.

   C++