Wednesday, October 28, 2026 4,523 lists 78,997 records on file
List your app or device

  1. Home
  2. AI Tools
  3. AI Drug Discovery Software
Ranked on the record · 33 apps

Best AI Drug Discovery Software 2026

AI drug discovery software applies AI models to work connected with discovering medicines. This list helps buyers compare software options by access model, platform support and maker details.

The page is rebuilt nightly. Review maker-stated prices, free-plan availability and supported platforms for tools including Amazon Bio Discovery, Boltzmann Labs and DAIKON.

6 WebWindowsMac+1 $10,000 a year Record3.0 Visit
7 Web Free plan Record2.8 Visit
8 WindowsMacLinux — Record2.6 Visit
9 Web — Record2.5 Visit
10 Web — Record2.5 Visit
11 Web — Record2.5 Visit
12 Web — Record2.5 Visit
13 Web — Record2.4 Visit
14 Web — Record2.4 Visit
15 — Record2.3 Visit
16 — Record2.3 Visit
17 — Record2.3 Visit
18 Web — Record2.3 Visit
19 — Record2.3 Visit
20 Web — Record2.3 Visit
21 — Record2.3 Visit
22 — Record2.2 Visit
23 — Record2.2 Visit
24 — Record2.2 Visit
25 — Record2.2 Visit

Before you choose

Check platform support

Tools here run through web browsers or on macOS, Windows and Linux. Confirm that the platform offered by a tool fits the computers your team uses.

Web access can suit browser-based work, while a desktop platform may fit a managed computer setup.

Review the access model

Entries use free, freemium or paid pricing approaches. Amazon Bio Discovery, Boltzmann Labs and DAIKON are among entries with a free plan.

Paid tools may list pricing on request. Amazon Bio Discovery offers a free plan, with paid access starting at $180 per month.

Check what free access means

A free plan can provide a way to start without a paid subscription. Check the maker's current terms before choosing a tool for ongoing work.

DAIKON uses a free pricing model, while Boltzmann Labs offers a free plan.

Consider the maker

Maker details can help with procurement and support decisions. Listed headquarters include Melbourne, Leeds, Boston and Santa Clara.

BioNeMo is made by NVIDIA, whose headquarters are listed in Santa Clara, California.

Confirm current terms

The list is rebuilt nightly, and pricing or platform details can change. Recheck the tool's maker page before making a purchase or deployment decision.

Questions

Are free plans available for AI drug discovery software?
Yes. Amazon Bio Discovery, Boltzmann Labs and DAIKON show free access options. Other tools list paid access or pricing on request.
Which platforms do these tools support?
The list covers browser-based web use and desktop systems running macOS, Windows or Linux.
How is AI drug discovery software priced?
The entries use free, freemium or paid models. Amazon Bio Discovery shows paid access beginning at $180 per month, while other tools may require a pricing request.
Can I compare maker locations?
Yes. Listed headquarters include Melbourne, Victoria; Leeds, United Kingdom; Boston, Massachusetts; and Santa Clara, California.
How often does this list change?
The list is rebuilt nightly, so its displayed tool details and ordering can change.