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Best AI Drug Discovery Software in 2026

Use this list to compare AI drug discovery software before selecting a tool. It brings pricing models, free-plan availability and stated platform details together.

  1. 01 Boltzmann Labs
    Free plan Web
    7.0 Visit Specs
  2. 02 Amazon Bio Discovery
    From $180/mo Web
    6.8 Visit Specs
  3. 03 TRION
    From $0.01/mo Free plan Web · Windows · macOS
    6.8 Visit Specs
  4. 04 StarDrop
    From $833.33/mo Web · Windows · macOS · Linux
    6.3 Visit Specs
  5. 05 1910.ai Model Foundry
    Web
    6.1 Visit Specs
  6. 06 Standigm STELLA
    From $2,500/mo Web
    6.1 Visit Specs
  7. 07 Benevolent Platform
    6.0 Visit Specs
  8. 08 AlgoraeOS
    5.9 Visit Specs
  9. 09 CONVERGE
    Web
    5.9 Visit Specs
  10. 10 DrugEx
    Windows · macOS · Linux
    5.9 Visit Specs
  11. 11 BioNeMoNVIDIA
    5.8 Visit Specs
  12. 12 C4X Discovery Taxonomy3
    5.8 Visit Specs
  13. 13 CONECTA
    5.8 Visit Specs
  14. 14 Denovo Sciences Proteus
    Web
    5.8 Visit Specs
  15. 15 Chemistry42Insilico Medicine
    5.7 Visit Specs
  16. 16 DAIKON
    Web
    5.7 Visit Specs
  17. 17 DeepCure
    5.7 Visit Specs
  18. 18 Deep Genomics AI Workbench
    5.7 Visit Specs
  19. 19 Genesis GEMS
    Web
    5.6 Visit Specs
  20. 20 Iktos
    Web
    5.6 Visit Specs
  21. 21 MolSoft groupGen and LigandAIDE
    Windows · macOS · Linux
    5.6 Visit Specs
  22. 22 Generate PlatformGenerate:Biomedicines
    5.5 Visit Specs
  23. 23 Healnet
    5.5 Visit Specs
  24. 24 ID4XtalPi
    5.4 Visit Specs
  25. 25 Lilly TuneLab
    Web
    5.4 Visit Specs
How this list is ordered. Specifiction scores each tool on how fully its maker documents it, whether its prices are published, where the research puts it, the platforms it runs on and whether it can be tried for free (how we rank). Makers can also buy a numbered place (how Specifiction is paid for).

Review each pricing model and look for a listed free plan. Make sure the software's stated platform—web, macOS, Windows or Linux—works with your setup, and note entries marked pricing on request.

Compare Boltzmann Labs and Amazon Bio Discovery Get a place on this list

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