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transformato

Community

Tool for setting up relative binding free energies

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::transformato

Usage Tracking

0.4
0.3
2 / 8 versions selected
Downloads (Last 6 months): 0

Description

Transformato is a tool that creates files for mutating one ligand into another (relative binding free energy). The created files are used to run MD simulations and calculate the resulting free energy differences.

About

Summary

Tool for setting up relative binding free energies

Last Updated

Jan 14, 2025 at 09:08

License

MIT

Total Downloads

4.5K

Version Downloads

816

Supported Platforms

noarch