24 packages matching “openchemlib”
openchemlib
v9.25.0 · 1 month ago
Manipulate molecules
No known vulnerabilities
openchemlib-utils
v8.18.0 · 1 month ago
Various utilities that extends openchemlib-js like HOSE codes or diastereotopic IDs
No known vulnerabilities
react-ocl
v8.7.2 · 2 months ago
React components integrating OpenChemLib
No known vulnerabilities
openchemlib-extended
v6.0.0 · 7 years ago
Openchemlib extended
No known vulnerabilities
openchemlib-search-wasm
v1.2.0 · 12 days ago
Batch substructure and similarity search over idcodes, with OpenChemLib compiled to WebAssembly
No known vulnerabilities
openchemlib-sqlite
v5.0.0 · 12 days ago
SQLite-backed molecular database with substructure, exact, and similarity search using OpenChemLib
No known vulnerabilities
@symeres/openchemlib-viewer-react
v1.0.3 · 4 years ago
```console yarn add @symeres/openchemlib-viewer-react ```
No known vulnerabilities
openchemlib-extended-minimal
v2.0.0 · 9 years ago
Minimal version of openchemlib-extended
No known vulnerabilities
react-ocl-nmr
v4.1.1 · 1 year ago
A component to display chemical structure for NMR spectra assignments
No known vulnerabilities
chemical-groups
v2.2.4 · 15 days ago
JSON containing information about chemical groups
No known vulnerabilities
nmrium
v3.0.0 · 9 days ago
React component to display and process nuclear magnetic resonance (NMR) spectra.
No known vulnerabilities
@datagrok/chem
v1.17.15 · 21 days ago
Cheminformatics support: import, rendering, sketching, calculation of properties, predictive models, augmentations, multiple analyses.
No known vulnerabilities
@datagrok/chem-draw-sketcher
v1.1.4 · 3 months ago
Adds ChemDraw sketcher as one of the supported molecule sketchers
No known vulnerabilities
mass-fragmentation
v1.13.1 · 15 days ago
Code to fragment molecules
No known vulnerabilities
expand-chemical-groups
v1.0.0 · 15 days ago
Expand a chemical-groups abbreviation such as HAlaGlyOH to an OCL molecule
No known vulnerabilities
nmrium-cli
v1.2.1 · 21 days ago
CLI commands related to nmrium
No known vulnerabilities
@michaelwenk/nmrium
v0.24.1 · 4 years ago
React component to display and process nuclear magnetic resonance (NMR) spectra.
No known vulnerabilities
@datagrok/marvin
v3.1.36 · 4 months ago
Adds MarvinJS sketcher as one of the supported molecule sketchers
No known vulnerabilities
glycans
v0.2.1 · 4 months ago
Deals with glycans and their mass fragmentation
No known vulnerabilities
rehype-smiles
v1.0.3 · 6 years ago
rehype plugin wich convert SMILES molecule to SVG
No known vulnerabilities