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Predictive Molecule Compression

Compression method for molecular dynamics trajectories exploiting the knowledge of molecular bonds.

Caution

Currently only reference command line tool written in C# is accessible to public. In the future, the authors plan to also release an open source library.

Contact

If you have any question regarding the PMC, feel free to contact the authors at jdvorak@kiv.zcu.cz, or by using issue tracking mechanism of the github repository.