Software

Our software packages that are actively maintained by our core CoSeC support team:

All Scientific Software Data Tools

CodeEntropy

This code is a complete and generally applicable set of tools for computing entropy of macromolecular systems from the forces sampled in a MD simulation.

aiida-amber

The AMBER plugin for AiiDA aims to enable the capture and sharing of the full provenance of data when parameterising and running molecular dynamics simulations.

aiida-gromacs

The GROMACS plugin for AiiDA aims to enable the capture and sharing of the full provenance of data when parameterising and running molecular dynamics simulations.

Software Package Name

Authors

Install by Pip

Install by Conda

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