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Javascript based library to access the Open PHACTS API and discover bio-chemical and life sciences data
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A parser for X! tandem xml output files
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A JavaScript port of the webchem package
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A module enabling communication with PubChem in JS
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searchable periodic table of elements
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Chemical Tools for Chemistry students.
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Javascript version of elementary reaction expression parser
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A module to provide the potential modification sites of a peptide
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Generator for the different cheminfo organizations
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Type Safe Chemical Elements
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Simple utility library for providing information about the periodic table and the elements.
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Manipulate molecules
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Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
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Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
