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27 packages found

JavaScript distribution of cheminformatics functionality from the RDKit - a C++ library for cheminformatics.

published version 2024.3.5-1.0.0, 6 months ago4 dependents licensed under $BSD-3-Clause
23,628

WASM implementation of Indigo organic chemistry toolkit web service for Ketcher

published version 1.28.0, a day ago2 dependents licensed under $Apache-2.0
18,881

Open source JavaScript toolkit for chemoinformatics

published version 1.0.2, 2 months ago4 dependents
1,665

exports interactif molecule represnetations as react components

published version 1.11.2, 6 days ago0 dependents licensed under $MIT
1,259

exports an initialized RDKit instance, with helper functions

published version 2.9.1, 4 months ago0 dependents licensed under $MIT
1,083

The React Chemdoodle Web Components (`react-chemdoodle`) is a UI library add-on for the [ChemDoodle Web Components](https://web.chemdoodle.com/) (CWC) library. CWC provides 18 unique component canvases from a simple 2D "ViewerCanvas" to 3D "EditorCanvas3D

published version 0.0.7, 2 years ago0 dependents licensed under $MIT
216

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

published version 0.0.6, 6 years ago1 dependents licensed under $MPL2
295

Molecule

published version 2.9.0, 5 years ago1 dependents licensed under $MIT
92

Javascript based library to access the Open PHACTS API and discover bio-chemical and life sciences data

published version 7.0.0, 8 years ago1 dependents licensed under $MIT
34

Math support for @chemistry project

published version 2.9.0, 5 years ago5 dependents licensed under $MIT
38

List of space groups with symetry codes

published version 2.2.1, 6 years ago3 dependents licensed under $MIT
35

Molecule Editor

published version 2.3.2, 4 years ago0 dependents licensed under $MIT
34

The package converts smiles to molecular fingerprints based on Morgan's fingerprints.

published version 1.0.2, a year ago0 dependents licensed under $MIT
21

JavaScript distribution of cheminformatics functionality from the RDKit - a C++ library for cheminformatics.

published version 2022.3.3-debug2, 3 years ago0 dependents licensed under $BSD-3-Clause
23

Handle molecules with bokeh

published version 0.1.1, a year ago0 dependents licensed under $Apache-2.0
19

React component wrapper for Kekule.js widgets

published version 0.1.1, 2 years ago0 dependents
21

Class to support infinite molecules

published version 1.5.1, 6 years ago1 dependents licensed under $MIT
25

Crystal Structure Viewer

published version 2.1.2, 7 years ago0 dependents
22

JavaScript distribution of cheminformatics functionality from the RDKit - a C++ library for cheminformatics.

published version 2022.3.6-beta, 3 years ago0 dependents licensed under $BSD-3-Clause
20

Chemical data formats

published version 2.9.0, 5 years ago3 dependents licensed under $MIT
20