Category theory has a way of defining subobjects in general that basically formalizes the notion of widgets and subwidgets above. It also has a way of formalizing normal subobjects, but this is more recent and more complicated. The nLab page on normal subobjects says “The notion was found ...
PYTHON programming languageThe text provides a detailed explanation of various mathematical concepts related to Lie algebras, group theory, and representation theory. It covers topics such as positive roots, simple roots, Weyl reflections, Cartan subalgebras, commutation relations, Casimir operators, ...
Tag Archives:Group Theory Calculating symmeterised small molecule RMSDs using graph automorphisms in python with GEMMI and NetworkX When a ring flips, how do we calculate RMSD? This surprisingly simple question leads to a very interesting problem! If we take a benzene molecule, say, and rotate ...
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Theory Jacobi Methods Singular Value Decomposition for general matrix (GESVJ) Overview Algorithm Architecture General QR Decomposition (GEQRF) Lower-Upper Decomposition (GETRF) Lower-Upper Decomposition (GETRF_NOPIVOT) Cholesky Decomposition for SPD matrix (POTRF) Triangular Solver (GTSV)...
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Apologies if this sounds like a stupid question, but I'm just curious. Say I have this: See my understanding of async/await is that the UI becomes responsive as soon as an await is hit. So in theory, ... Printing object attributes based on user input in Python 3x ...
So in theory, ...Printing object attributes based on user input in Python 3x First of all I'd like to say im a Python beginner (or programming beginner for that matter) and I'm trying to figure out how to print attributes from a object based on user input. This is the code I h...
calculation logp and logd calculations nmr model prediction pka calculation red and blue representation of pka values tautomerization and tautomers validation results tautomerization and tautomer models of chemaxon theory of aqueous solubility prediction the tautomerization models behind the jchem tautomer ...
Journal of Chemical Theory and Computation (2025) doi Integration of QSAR models with high throughput screening to accelerate the development of polishing chromatography unit operationsHartmann, Michael; Rauscher, Michael; Robinson, Julie; Welsh, John; Roush, DavidJournal of Chromatography A 1747 (2025...