Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "free-energy-calculations" keyword
openfe 0.2.1
The Open Free Energy (OpenFE) project is dedicated to the maintenance and development of open sou...5 versions - Latest release: about 2 years ago - 1 dependent repositories - 62 stars on GitHub
openmmtools 0.21.5
openmmtools is a Python library layer that sits on top of OpenMM to provide access to a variety o...10 versions - Latest release: almost 2 years ago - 9 dependent packages - 15 dependent repositories - 166 stars on GitHub
transformato 0.3
Transformato is a tool which creates files for mutating one ligand into another (relative binding...1 version - Latest release: over 1 year ago - 12 stars on GitHub
calphy 1.2.4
A Python library and command line interface for automated free energy calculations12 versions - Latest release: over 1 year ago - 2 dependent repositories - 28 stars on GitHub
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