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161 packages found
Customizable React loading spinner that looks like an atom
MathType Web for CKEditor5 editor
A JavaScript library for working with isotope abundances
A set of chemistry related tools for AngularJS
A module to provide unimod modifications
searchable periodic table of elements
A fast and simple parser for chemical compounds
Get the molar mass of a compound in g/mol
Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
Pairwise lennard-jones potential in javascript.
Takes a pairwise function and returns a function that can calculate the energy from a set of 3D positions.
Simple Chemical Equation Balancer
- chemistry
- chemicals
- balance
- balancer
- chem
- equilibrium
- elements
- chemical balance
- reaction
- matrix
- chemical reaction
- chemical change
NLP for the Optimade queries based on the MPDS data categories
- optimade
- mpds
- pauling file
- chemistry
- chemical formula
- chemical formulae
- periodic table
- materials informatics
The package converts smiles to molecular fingerprints based on Morgan's fingerprints.
A general purpose module for parsing mgf files
A parser for X! tandem xml output files
An xyz chemical file format parser and tools for interacting with xyz files.
A general purpose module for parsing FASTA files
Simple utility library for providing information about the periodic table and the elements.
Chemical database , equation and chemical formula tools