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Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
ZENODO
Software . 2026
License: CC BY
Data sources: Datacite
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apzubarev/Degree-of-nontrivial-ultrametricity-for-RNA-macrostates: Calculation of the degree of nontrivial ultrametricity for RNA macrostates Version 3

Authors: apzubarev;

apzubarev/Degree-of-nontrivial-ultrametricity-for-RNA-macrostates: Calculation of the degree of nontrivial ultrametricity for RNA macrostates Version 3

Abstract

Calculation of the degree of nontrivial ultrametricity for RNA macrostates. PHYSICALLY RIGOROUS APPROACH: distance between basins via spectral decomposition of the transition rate matrix (Mahalanobis distance in the space of eigenvectors of the symmetrized matrix K). METHOD: A transition rate matrix K is built between all structures (N x N, where N ~ 2000) based on the Kramers formula. K is symmetrized taking detailed balance into account. The m smallest eigenvalues in magnitude and corresponding eigenvectors are computed (Lanczos method for sparse matrices). Automatic filtering of noise modes is performed by finding a spectral gap: if the ratio |λ_k| / |λ_{k-1}| exceeds a threshold (default 10^6), modes with indices 1): When NUM_STAT > 1, NUM_STAT independent runs are performed for each sequence with different random samples of structures (seed varies: RANDOM_SEED, RANDOM_SEED+1, ..., RANDOM_SEED+NUM_STAT-1). Results are averaged, and the final table shows mean values and standard deviations (mean ± std). Integer quantities (number of structures, basins, connected components) are rounded to integers. OUTPUT MODES: VERBOSE = True — full log (steps, components, spectral analysis). VERBOSE = False — brief log: sequence header and parameters are printed once, then only RUN/COMPLETED, followed by a statistics block. ADVANTAGES: Takes into account all possible transition paths (via spectral decomposition). Context-independent (distance between A and B is determined only by them, not by the presence of other basins). Symmetric and guaranteed to be a metric. Automatically filters out numerical noise via spectral gap detection. Correctly handles disconnected structure graphs. Computational complexity O(m·N·E + K²·m), allowing processing of N ~ 2000 structures and K ~ 100 basins in seconds. STRUCTURE GENERATION MODE: Stochastic sampling (pbacktrack) from the Gibbs distribution. Dependencies: pip install viennarna numpy scipy biopython

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average