An OpenBabel port for Node.js
A parser for X! tandem xml output files
A molecular parsing engine
A module enabling communication with PubChem in JS
searchable periodic table of elements
Chemical Tools for Chemistry students.
A module to provide the potential modification sites of a peptide
Generator for the different cheminfo organizations
Type Safe Chemical Elements
MathType Web for CKEditor5 editor
Simple utility library for providing information about the periodic table and the elements.
A library for working with molecular-formula
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
A JS implementation of the emass algorithm
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