gmx_MMPBSA_dataParser

For the independent analysis of the different binding free energy files generated by the gmx_MMPBSA such as a CSV and DAT files.

Name		Name	Last commit message	Last commit date
.github/workflows		.github/workflows
LICENSE		LICENSE
README.md		README.md
get_DECOMP_MMPBSA.ipynb		get_DECOMP_MMPBSA.ipynb
get_MMPBSA.ipynb		get_MMPBSA.ipynb
gmx_MMPBSA_PB_GB_energy.py		gmx_MMPBSA_PB_GB_energy.py
gmx_MMPBSA_residual_comparative.py		gmx_MMPBSA_residual_comparative.py
gmx_MMPBSA_residues_decomposition.py		gmx_MMPBSA_residues_decomposition.py

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