Best Chemistry Simulation Software in 2026

32 chemistry simulation software ranked on what their makers publish — plans and prices, free tiers, platforms and the facts on their own pages.

32ranked
0free plans on this page
$84.94/molowest paid tier
4 Oct 2026last checked

Recognised 40% · Phone app 26% · Documented 20% · Free plan 14% of the score

  1. 26 Collisions Higher Education No phone app RecognisedPhone appDocumentedFree plan 5.1 Molecular modeling: YesReaction simulation: Yes
  2. 27 Equilipy No phone app RecognisedPhone appDocumentedFree plan 5.1
  3. 28 McGraw Hill Virtual Labs No phone app RecognisedPhone appDocumentedFree plan 5.1$84.94/mo
  4. 29 ODYSSEY Student Edition No phone app RecognisedPhone appDocumentedFree plan 5.1 Virtual labs: YesMolecular modeling: YesReaction simulation: Yes
  5. 30 Virtual Labs No phone app RecognisedPhone appDocumentedFree plan 5.0
  6. 31 NMRInversions.jl No phone app RecognisedPhone appDocumentedFree plan 4.9
  7. 32 Labster No phone app RecognisedPhone appDocumentedFree plan 4.8

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