Berikut adalah beberapa software kimia komputasi yang ada di linux:
1. Avogadro
2. BALLView
3. bist
4. BKchem
5. Chemistry calculator
6. Chemtool
7. DRAWxtl
8. EasyChem Chemical Structures Editor
9. Gabedit QC-GUI
10.gamgi
11. Garlic Protein Visualization
12. GChemPaint Chemical Structures Editor
13. GDIS Molecule Modeller
14. GDPC Molecular Dynamic Simulator
15. ghemical
16. Gnome Crystal Crystalline Structures Viewer
17. GPeriodic
18. Kalzium
19. massXpert
20. mMass
21. Molecules Viewer
22. Periodic Table
23. Periodic table of the elements
24. PyMOL Molecular Graphic System
25. Spectrum viewer
26. Viewmol
27. xdrawchem Chemistry Editor
28. XMakemol
