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g_mmpbsa
g_mmpbsa PublicForked from RashmiKumari/g_mmpbsa
MM-PBSA method for GROMACS. For full description, please visit homepage: https://rashmikumari.github.io/g_mmpbsa/
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Dask-tutorial-SA
Dask-tutorial-SA PublicForked from Sera91/Dask-tutorial-SA
This repo contains the scripts for the tutorial activity on Dask-ML for the School 'High Performance Computing for sustainable development' organized by ICTP/CHPC in SA.
Jupyter Notebook
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TTMD
TTMD PublicForked from molecularmodelingsection/TTMD
Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations
Python
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the-turing-way
the-turing-way PublicForked from the-turing-way/the-turing-way
Host repository for The Turing Way: a how to guide for reproducible data science
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