Best AI Drug Discovery Software in 2026

33 apps
Research read 19 Oct 2026
How the order is worked out

1

Boltzmann Labs

Free plan Web

6.5 Free plan Visit site
2

Amazon Bio Discovery

Free plan Web

6.4 Free plan · paid from $180/mo Visit site
3

DrugEx

Free plan LinuxMacWindows

6.2 Free plan Visit site
4

TRION

Free plan MacWebWindows

6.1 Free plan Visit site
5

DAIKON

Free plan Web

5.9 Free plan Visit site
6

1910.ai Model Foundry

Paid Web

4.7 Pricing on request Visit site
7

StarDrop

Paid LinuxMacWeb+1

4.6 From $10,000/yr · 30-day trial Visit site
8

AlgoraeOS

Paid

4.5 Pricing on request Visit site
9

Benevolent Platform

Paid

4.5 Pricing on request Visit site
10

CONVERGE

Paid Web

4.5 Pricing on request Visit site
11

C4X Discovery Taxonomy3

Paid

4.4 Pricing on request Visit site
12

CONECTA

Paid

4.4 Pricing on request Visit site
13

Denovo Sciences Proteus

Paid Web

4.4 Pricing on request Visit site
14

BioNeMo
by NVIDIA
Paid

4.3 Visit site
15

Deep Genomics AI Workbench

Paid

4.3 Pricing on request Visit site
16

Genesis GEMS

Paid Web

4.3 Pricing on request Visit site
17

Iktos

Paid Web

4.3 Pricing on request Visit site
18

MolSoft groupGen and LigandAIDE

Paid LinuxMacWindows

4.3 Pricing on request Visit site
19

Standigm STELLA

Paid Web

4.3 From $2,500/mo · 14-day trial Visit site
20

Chemistry42
by Insilico Medicine
Paid

4.2 Visit site
21

DeepCure

Paid

4.2 Pricing on request Visit site
22

Healnet

Paid

4.1 Pricing on request Visit site
23

Lilly TuneLab

Paid Web

4.1 Pricing on request Visit site
24

Standigm ASK

Paid Web

4.1 Pricing on request Visit site
25

Generate Platform
by Generate:Biomedicines
Paid

4.0 Visit site

#1Places #1, #2, #3, #4, #5 on this list can be bought by the makers of the software on it. See the price

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