AI Drug Discovery
Companies

54 companies applying machine learning to drug discovery — from structure prediction and generative chemistry to automated lab platforms.

Profiles updated weekly · New companies added as they emerge

Notable startups

Recent breakout companies reshaping AI drug discovery.

Get notified about new AI drug discovery startups

Be the first to know when new AI drug discovery startups launch.


54 companies
Ab

AbCellera Biologics

platform · 2012 · $555M+ (IPO)

Full-stack antibody discovery from natural immune systems

As

Absci Corporation

preclinical · 2011

AI-powered de novo antibody design and creation

Ac

Accipiter Biosciences

preclinical · 2025 · $12.7M

De novo protein therapies for complex diseases

Av

Antiverse

preclinical · 2018

Generative AI for antibody CDR design

At

Atomwise

preclinical · 2012 · $123M

AI-powered virtual screening for small molecule drug discovery

Br

Basecamp Research

platform · 2019 · $85M

World's largest biodiversity-powered protein database for AI

Be

BenevolentAI

clinical · 2014

AI-enabled knowledge graph for drug discovery and repurposing

Bh

BigHat Biosciences

preclinical · 2019 · $148M

AI-driven antibody engineering with closed-loop lab validation

Bp

Bioptimus

platform · 2024 · $76M

Universal biology foundation model from ex-DeepMind team

Bz

Boltz PBC

platform · 2026 · $28M

Open-source biomolecular AI for drug discovery

Ca

Calico Life Sciences

clinical · 2013

Alphabet-backed research into the biology of aging

Ce

Cellarity

preclinical · 2019 · $274M

Cell behavior-level drug discovery with single-cell AI

Ch

Chai Discovery

platform · 2024 · $225M+

Foundation models for molecular discovery with zero-shot antibody design

Ct

CHARM Therapeutics

preclinical · 2022 · $150M+

AI-powered structure-based drug discovery for precision oncology

Cb

Constructive Bio

platform · 2022 · $75M

Rewriting genomes to create novel biomolecules

Cr

Cradle

platform · 2021 · $100M+

Generative AI protein engineering platform

Dg

Deep Genomics

preclinical · 2014 · $226M CAD ($180M USD)

AI-driven RNA therapeutics guided by the BigRNA foundation model

El

Earendil Labs

clinical · 2021 · $84.6M

AI-designed bispecific antibodies for autoimmune diseases

Ev

Enveda Biosciences

preclinical · 2019 · $360M+

Unlocking nature's chemistry with ML for drug discovery

Es

EvolutionaryScale

platform · 2023 · $142M+

ESM3 — the largest protein language model, generating novel proteins

Em

Expedition Medicines

preclinical · 2025 · $50M

Generative covalent chemistry for undruggable targets

Ex

Exscientia

clinical · 2012

Pioneer in AI-designed molecules reaching clinical trials

Gx

Galux

preclinical · 2020 · $47M

AI-driven de novo protein design for drug discovery

Gb

Generate:Biomedicines

preclinical · 2020 · $700M+

Generative AI for de novo protein therapeutic design

Ge

Genesis Therapeutics

preclinical · 2019 · $304M+

AI precision drug discovery for undruggable targets

Gk

Ginkgo Bioworks

platform · 2008

Cell programming platform for synthetic biology and protein design

Hx

Healx

preclinical · 2014

AI-powered drug repurposing for rare diseases

Ia

Iambic Therapeutics

clinical · 2021 · $250M+

Physics-informed AI for rapid clinical-stage drug discovery

Ik

Iktos

platform · 2016

Generative AI and robotic chemistry for drug design

Ic

Inceptive

preclinical · 2021 · $120M+

Deep learning for RNA molecule design

Im

Insilico Medicine

clinical · 2014

First AI-discovered and AI-designed drug in Phase 2 clinical trials

In

Insitro

preclinical · 2018

Machine learning meets human biology data for drug discovery

Il

Isomorphic Labs

preclinical · 2021 · $600M+

AlphaFold-powered AI drug design from Alphabet

Ll

Latent Labs

platform · 2025 · $50M

Making biology programmable with generative AI

Li

Lila Sciences

platform · 2025 · $550M

Autonomous AI science factories for drug discovery

Na

Nabla Bio

preclinical · 2021 · $37M

Generative AI for de novo antibody design

Nb

Nimbus Therapeutics

clinical · 2009

Structure-based AI drug design with major pharma deals

Ok

Owkin

platform · 2016

Federated learning AI for oncology drug development

Pa

Parabilis Medicines

clinical · 2016 · $305M+

AI-powered peptide therapeutics for undruggable targets

Pl

Peptilogics

preclinical · 2015

AI-driven peptide drug design for oncology and anti-infectives

Ph

Phylo

platform · 2025 · $13.5M

The integrated biology environment — an IDE for biologists

Pf

Profluent Bio

platform · 2022 · $150M+

AI-designed proteins and gene editors

Rc

Recursion Pharmaceuticals

clinical · 2013 · $600M+ cash position (end of 2024)

Industrializing drug discovery with phenomics, AI, and supercomputing

Rt

Relation Therapeutics

preclinical · 2020 · $130M+

Lab-in-the-Loop AI for therapeutic target discovery

Rl

Relay Therapeutics

clinical · 2016

Motion-based drug discovery using protein dynamics

Sc

Schrödinger

clinical · 1990

Physics-based molecular simulation meets ML for drug discovery

Sd

Standigm

clinical · 2015

AI-powered drug discovery and repurposing from Seoul

Tp

Tempus AI

platform · 2015 · $410M (IPO) + prior venture rounds

Largest clinical genomics database powering precision medicine AI

Tr

Terray Therapeutics

preclinical · 2021 · $226M

Nanotechnology-enabled ultra-high-throughput drug discovery

Tu

Turbine

preclinical · 2015

Simulated cell biology for oncology drug discovery

Un

Unlearn AI

platform · 2017 · $130M+

Digital twins to reduce clinical trial size and timelines

Vh

Valo Health

clinical · 2019 · $300M+

Integrating human data and computation for end-to-end drug development

Xa

Xaira Therapeutics

preclinical · 2024 · $1B+

AI-native drug discovery with $1B+ launch — largest in biotech history

Xp

XtalPi

platform · 2015

Quantum mechanics + AI for crystal structure and drug property prediction


Stay current

Weekly digest of AI drug discovery developments. No noise.