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FilePath -> TopologyData
Parse molecular topology files (e.g., PDB, PSF, GRO) to extract static molecular connectivity, residues, segments, and atom metadata.
Problem it solves
Molecular dynamics trajectories store coordinates but lack static structural metadata like bonds, charges, or residue names.
Consumes
Emits
The real projects this mechanism was found in. Attribution is the point — this is how the best teams actually do it.