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Crate gdock

Crate gdock 

Source

Modules§

chromosome
clustering
FCC (Fraction of Common Contacts) clustering for protein structures.
commands
constants
evaluator
Evaluator module for calculating docking quality metrics.
fitness
ga
hall_of_fame
Tracks diverse high-quality solutions across evolution generations.
population
restraints
runner
Top-level GA runner — the single source of truth for the evolution loop.
scoring
structure
toppar
utils