Chemistry | npm.io

A 3D webgl molecule viewer

1.0.0 • Published 6 years ago

dial-a-device-node is the device interface for dial-a-device

device control remote serial port serialport chemistry lab automation dial-a-device beaglebone

0.0.158 • Published 10 years ago

Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.

kabsch rmsd chemistry cheminformatics molecule

0.0.6 • Published 6 years ago

A JS implementation of the emass algorithm

mass molecule chemistry isotope

1.2.5 • Published 7 years ago

A general purpose module for parsing mgf files

peptide protein chemistry proteomics

1.1.0 • Published 7 years ago

A module to provide unimod modifications

peptide protein chemistry modification unimod proteomics

1.1.1 • Published 7 years ago

Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.

chemistry atomistics optimization gradient descent steepest descent

1.0.1 • Published 7 years ago

Molecule

cheminformatics chemistry molecule atoms bonds

2.9.0 • Published 6 years ago

Molecule

cheminformatics chemistry molecule atoms bonds

2.3.0 • Published 7 years ago

Chemical data formats

cheminformatics jnmol jmol chemistry data formats

2.9.0 • Published 6 years ago

Annotate GPML pathways with Rhea identifiers

gpml pathway chemistry biology rhea

0.1.0 • Published 5 years ago

Math and Chemistry equations support for Mudawanah

blog math chemistry multilingual static-site-generator mudawanah mathjax mathml asciimath latex

0.3.3 • Published 8 years ago

MicroFlex - The World's First Microplate Library

microplate microflex microtiter lab science statistics well wellset plate stack

1.0.0 • Published 8 years ago

A class for standardizing how peptide spectrum matches (PSMs) are handled

chemistry peptide proteomics mass spec psm peptide spectrum match spectrum

2.1.0 • Published 7 years ago

tiny server to convert inchi<->molecule

inchi server chemistry

0.0.1 • Published 11 years ago

A molecular generation engine

mcul molecule atom chemistry chemical chemical engineering science research education science communication

0.1.0-alpha3 • Published 5 years ago

A molecular visualization engine powered by MCUL

mcul molecule atom chemistry chemical chemical naming iupac organic inorganic

0.1.0-alpha0 • Published 6 years ago

Convert electronic configuration to electrons per shell

electron electronic configuration chemistry shell

0.1.0 • Published 10 years ago

API for gathering the histories of each chemical element

chemistry chemical element elements history histories story image country periodic

0.0.2 • Published 9 years ago

A unified platform for theoretical and computational chemists.

quantum mechanics chemistry hpc jupyter notebook visualization

0.5.5 • Published 4 years ago

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Chemistry Packages

colco-rs

dial-a-device-node

fit_transform

js-emass

js-mgf

js-unimod

@atomistics/gradient-descent

@chemistry/molecule

@chemistry/molecule-to-svg

@chemistry/common

@larsgw/gpml-rhea

mudawanah-school

microflex

peptide-spectrum-match

inchi-server

mcul

mcul-visualize-svg

electronic-config

element-histories

exatomic