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

Chemistry Simulation Software, one module each. A lit port is something its maker publishes; 0 of the 7 on this page have a public API.

  1. 26 VR Chemistry Lab API not on recordOSS not on recordFREE not on recordDOCS 5.0
  2. 27 Yenka Chemistry API not on recordOSS not on recordFREE not on recordDOCS 5.0
  3. 28 Equilipy API not on recordOSS not on recordFREE not on recordDOCS 4.9
  4. 29 McGraw Hill Virtual Labs API not on recordOSS not on recordFREE not on recordDOCS 4.9$84.94/mo
  5. 30 Virtual Labs API not on recordOSS not on recordFREE not on recordDOCS 4.9
  6. 31 Labster API not on recordOSS not on recordFREE not on recordDOCS 4.7
  7. 32 NMRInversions.jl API not on recordOSS not on recordFREE not on recordDOCS 4.7
Compare all 7 in a table
#PlatformScoreFree planFromFree planPaid fromVirtual labsMolecular modeling
26VR Chemistry Lab5.0No—Yes—Yes—
27Yenka Chemistry5.0No———Yes—
28Equilipy4.9No—Yes———
29McGraw Hill Virtual Labs4.9No$84.94/mo————
30Virtual Labs4.9No—Yes———
31Labster4.7No—No———
32NMRInversions.jl4.7No—Yes———

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