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  2. Root mean square deviation of atomic positions - Wikipedia

    en.wikipedia.org/wiki/Root_mean_square_deviation...

    Typically RMSD is used as a quantitative measure of similarity between two or more protein structures. For example, the CASP protein structure prediction competition uses RMSD as one of its assessments of how well a submitted structure matches the known, target structure.

  3. Root mean square deviation - Wikipedia

    en.wikipedia.org/wiki/Root_mean_square_deviation

    In experimental psychology, the RMSD is used to assess how well mathematical or computational models of behavior explain the empirically observed behavior. In GIS, the RMSD is one measure used to assess the accuracy of spatial analysis and remote sensing. In hydrogeology, RMSD and NRMSD are used to evaluate the calibration of a groundwater ...

  4. List of algorithms - Wikipedia

    en.wikipedia.org/wiki/List_of_algorithms

    An algorithm is fundamentally a set of rules or defined procedures that is typically designed and used to solve a specific problem or a broad set of problems.. Broadly, algorithms define process(es), sets of rules, or methodologies that are to be followed in calculations, data processing, data mining, pattern recognition, automated reasoning or other problem-solving operations.

  5. Kabsch algorithm - Wikipedia

    en.wikipedia.org/wiki/Kabsch_algorithm

    The Kabsch algorithm, also known as the Kabsch-Umeyama algorithm, [1] named after Wolfgang Kabsch and Shinji Umeyama, is a method for calculating the optimal rotation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.

  6. List of numerical libraries - Wikipedia

    en.wikipedia.org/wiki/List_of_numerical_libraries

    Hermes Project: C++/Python library for rapid prototyping of space- and space-time adaptive hp-FEM solvers. IML++ is a C++ library for solving linear systems of equations, capable of dealing with dense, sparse, and distributed matrices. IT++ is a C++ library for linear algebra (matrices and vectors), signal processing and communications ...

  7. Category:Optimization algorithms and methods - Wikipedia

    en.wikipedia.org/wiki/Category:Optimization...

    Lemke's algorithm; Level-set method; Levenberg–Marquardt algorithm; Lexicographic max-min optimization; Lexicographic optimization; Limited-memory BFGS; Line search; Linear-fractional programming; Lloyd's algorithm; Local convergence; Local search (optimization) Luus–Jaakola

  8. Python Package Index - Wikipedia

    en.wikipedia.org/wiki/Python_Package_Index

    The Python Package Index, abbreviated as PyPI (/ ˌ p aɪ p i ˈ aɪ /) and also known as the Cheese Shop (a reference to the Monty Python's Flying Circus sketch "Cheese Shop"), [2]: 8 [3]: 742 is the official third-party software repository for Python. [4] It is analogous to the CPAN repository for Perl [5]: 36 and to the CRAN repository for R.

  9. List of algorithm general topics - Wikipedia

    en.wikipedia.org/wiki/List_of_algorithm_general...

    This is a list of algorithm general topics. Analysis of algorithms; Ant colony algorithm; Approximation algorithm; Best and worst cases; Big O notation; Combinatorial ...