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Awesome cheminformatics

A curated list of awesome cheminformatics resources.

  • https://www.rdkitjs.com/
  • https://react.rdkitjs.com/
  • https://github.com/cheminfo/openchemlib-js
  • https://github.com/Actelion/openchemlib
  • Applied AI for Materials Science - Winter '21
  • IU INFO I-590, Data Science in Drug Discovery, Health and Translational Medicine (DSDHT), Part 2 on drug discovery (Fall 2017)
  • Ed Griffen & David Cosgrove: Efficiently delivering better molecule depictions and highlighting
  • RDKit
  • https://cactus.nci.nih.gov/
  • https://miew.app/

See also

1.
Cheminformatics Crossword
A daily crossword puzzle for cheminformatics terms.
2.
SMILES to 3D Structure (SMILES to Conformer)
Convert SMILES (simplified molecular-input line-entry system) to a 3D structure online.
3.
SMILES Parse Tree Viewer
Visualize the parse tree of a SMILES string.
4.
SMILES to Structure API
A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.
5.
Awesome SMILES
A curated list of awesome links, tutorials, and resources on SMILES (simplified molecular-input line-entry system).
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