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clustering
0.12
Clustering suite for molecular dynamics trajectories.
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| General namespace for clustering package | |
| Namespace for density-based clustering functions | |
| MPI implementations of compute intensive functions | |
| OpenCL implementations of compute intensive functions | |
| Functionality for filtering coordinates or order parameters (ASCII or GROMACS' .xtc) based on state trajectory | |
| Functions related to "Most Probable Path"-clustering | |
| Functions for network creation from free energy screening | |
| Additional tools used throughout the clustering package |
1.8.6