cheminfo

cheminfo/cheminfo-types

TypeScript
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MIT License
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Support the dependencies of cheminfo/cheminfo-types

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Shared ESLint config for TypeScript projects
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super fast, all natural json logger
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TypeScript is a language for application scale JavaScript development
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typescript-json-schema generates JSON Schema files from your Typescript sources

Support the repos that depend on cheminfo/cheminfo-types

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Various method to process spectra
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Common package to deal with spectra
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Global Spectra Deconvolution
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Simple Linear Regression
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Ensure that we receive a text even if an ArrayBuffer is sent
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Polynomial Regression
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Generate various peak shapes
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Base class for regression modules
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Create a FileCollection from a path or a zip file
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Parse a text-file and convert it to an array of XY points
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Convert strings into JCAMP
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Build and manipulation of correlations from 1D and 2D NMR data
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A mass spectrum
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Savitzky–Golay filter in Javascript
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Process data in the form of {x:[], y:[]}
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Extract coupling constants from a complex NMR multiiplet
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Common package to deal with analysis
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Thermo Galactic GRAMS SPC files parser
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Fit spectra using gaussian or lorentzian
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JavaScript implementation of the CONREC contouring algorithm
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File parser for n-dimensional values
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Compares two spectra using a tree similarity
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Read and explore mzData v1.05 files
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it performs a linear sum assignment even if the cost matrix is rectangular.
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Convert biologic file format
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React component to display and process nuclear magnetic resonance (NMR) spectra.
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React components to build analysis UI
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Library to manage large amount of files coming from different sources
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React component to display and process nuclear magnetic resonance (NMR) spectra.
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Render wafer partition in react
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Polynomial Regression 2D
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simple multiuser LLM chatbot framework

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lpatiny
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cheminfo-bot
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targos
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kjappelbaum
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jobo322
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opatiny
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