This is stars and forks stats for /wiederm/transformato repository. As of 09 May, 2024 this repository has 14 stars and 5 forks.
Transformato Transformato is a package that helps to set up relative alchemical free energy calculations of small molecules with a common core scaffold, either for solvation free energy1 or binding free energy2 estimates. The package is designed to be used with output generated by CHARMM-GUI. Installation transformato can be easily installed from conda-forge: conda install transformato -c conda-forge Usage For more information on how to use transformato please visit the documentation Maintainers Marcus...
Transformato Transformato is a package that helps to set up relative alchemical free energy calculations of small molecules with a common core scaffold, either for solvation free energy1 or binding free energy2 estimates. The package is designed to be used with output generated by CHARMM-GUI. Installation transformato can be easily installed from conda-forge: conda install transformato -c conda-forge Usage For more information on how to use transformato please visit the documentation Maintainers Marcus...
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