https://github.com/openchemistry/molecules

Common molecule fragments for visualization in Avogadro
https://github.com/openchemistry/molecules

chemistry common-molecule-fragments molecules

Last synced: 4 months ago
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Common molecule fragments for visualization in Avogadro

• Host: GitHub
• URL: https://github.com/openchemistry/molecules
• Owner: OpenChemistry
• License: bsd-3-clause
• Created: 2016-11-18T18:57:32.000Z (over 9 years ago)
• Default Branch: master
• Last Pushed: 2025-10-27T15:18:36.000Z (8 months ago)
• Last Synced: 2025-12-08T19:52:17.942Z (6 months ago)
• Topics: chemistry, common-molecule-fragments, molecules
• Homepage: https://two.avogadro.cc/
• Size: 16.4 MB
• Stars: 17
• Watchers: 2
• Forks: 7
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

README

          
# Molecules

Common molecule fragments including a variety of organic functional groups:

- alcohols

- aldehydes

- alkanes

- alkenes

- alkynes

- amides

- amines

- amino acids

- aromatics

- carbamides

- carbohydrates

- carboxylic acids

- coordination

- cyclic alkanes

- cyclic alkenes

- cyclic sugars

- ethers

- fatty acids

- fullerenes

- heteroaromatics

- ketones

- ligands

- macrocycles

- nitriles

- nucleobases

- steroids

- sulfoxides

- thiols

All molecules are made available the BSD license. Most are from the

[Blue Obelisk Chemical Structures](http://chem-file.sourceforge.net/) set.

Where possible, optimized geometries are made available using the

[Pitt Quantum Repository](https://pqr.pitt.edu/)