Problem classess I Project — exploring and comparing metrics like Q-score, Wasserstein, and TVD for validating ligands.
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Updated
Apr 6, 2025 - Jupyter Notebook
Problem classess I Project — exploring and comparing metrics like Q-score, Wasserstein, and TVD for validating ligands.
Pure Python Q-score implementation matching MapQ (Pintilie et al. 2020). Validated on 28 EMDB entries: r = 0.999997. No Chimera dependency.
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