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Atomwise

AI-driven drug discovery via ML screening

Overview

Atomwise uses artificial intelligence to speed up drug discovery in the pharmaceutical industry. Its core offering is an AI engine that uses machine learning and convolutional neural networks to screen large chemical libraries and identify promising small-molecule medicines more efficiently than traditional methods. The product works by analyzing chemical structures and predicting biological activity to flag candidate compounds, supporting material decision-making for drug development. Atomwise differentiates itself by combining AI-driven prediction with a pipeline asset strategy, co-developing therapies and backing them with investors, then selling discoveries to pharmaceutical companies or healthcare providers. The company’s goal is to disrupt the traditional drug-discovery process by delivering better medicines faster and improving patient outcomes.

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About Atomwise

Simplify's Rating
Why Atomwise is rated
B-
Rated B on Competitive Edge
Rated B on Growth Potential
Rated C on Differentiation

Industries

Data & AnalyticsAI & Machine LearningBiotechnologyHealthcare

Company Size

11-50

Company Stage

N/A

Total Funding

$196.8M

Headquarters

San Francisco, CA

Founded

2012

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Simplify's take

What believers are saying

  • Sanofi’s 2026 five-target deal brings immediate cash and milestone upside.
  • Atomwise’s February 2025 leadership reset signals harder commercial discipline and drug-development focus.
  • Numerous historical partnerships keep Atomwise relevant while internal programs advance preclinically.

What critics are saying

  • Sanofi’s 2026 deal still leaves Atomwise dependent on partner-funded discovery economics.
  • The 2025 pipeline pivot demands expensive wet-lab execution before any clinical proof.
  • If AtomNet misses clinical translation, Recursion and Isomorphic Labs will outscale Atomwise.

What makes Atomwise unique

  • AtomNet’s 318-target study validated novel hits across 235 targets by 2024.
  • Steve Worland took over in February 2025 to push an internal pipeline.
  • Atomwise combines 250-plus partners, deep-learning screening, and proprietary preclinical assets.

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Funding

Total Funding

$196.8M

Above

Industry Average

Funded Over

8 Rounds

Notable Investors:
Private Placement Non VC funding comparison data is currently unavailable. We're working to provide this information soon!
Private Placement Non VC Funding Comparison Coming Soon

Benefits

  • Medical, dental, & vision
  • FSA
  • 401k
  • Parental leave
  • Commuter benefits
  • Professional development

Company News

Business Wire
Feb 18th, 2025
Atomwise Appoints Steve Worland, Ph.D. as Chief Executive Officer

SAN FRANCISCO-(BUSINESS WIRE)-Atomwise, a leader in leveraging machine learning and artificial intelligence (ML/AI) to advance small molecule drug discovery, today announced the appointment of Steve Worland, Ph.D. as Chief Executive Officer and member of the Board of Directors.

Business Wire
Apr 2nd, 2024
Atomwise Publishes Results From 318-Target Study Showcasing Atomnet Ai Platform’S Ability To Discover Structurally Novel Chemical Matter

SAN FRANCISCO--(BUSINESS WIRE)--Atomwise announced today results from the AIMS (Artificial Intelligence Molecular Screen) initiative that establish the AtomNet AI Platform as a viable alternative to high-throughput screening (HTS) and verify its ability to consistently discover structurally novel chemical matter. The landmark study applied AtomNet to 318 targets through collaborations with over 250 academic labs across 30 countries, representing the largest and most comprehensive virtual HTS campaign reported to date. In a paper published in Nature Scientific Reports, AtomNet successfully identified structurally novel hits for 235 of 318 targets evaluated, representing a significant improvement in hit success rate over traditional HTS. AtomNet demonstrated consistently high hit rates across all target classes, which covered a wide breadth of protein classes relevant across major therapeutic areas, confirming the broad applicability of the AI platform. AtomNet also showed a remarkable ability to discover novel chemical matter, averaging over seven structurally distinct bioactive compounds per target. Developed by Atomwise, AtomNet was the first deep neural network designed to predict the bioactivity of small molecules in structure-based drug discovery

Endpoints News
Oct 2nd, 2023
Ex­clu­sive: 'Faster is­n't bet­ter' - Atom­wise moves from part­ner­ships to pipeline with TYK2 drug

Atom­wise has hired Neely Mozaf­far­i­an as its chief med­ical of­fi­cer, CEO Abra­ham Heifets told End­points News in an ex­clu­sive in­ter­view on his com­pa­ny's fu­ture.

BioPharmaTrend
Mar 23rd, 2023
The State of A.I. Drug Discovery and Its Future: Small Molecules, Vaccines, and Antibodies

An active A.I. driven drug development company since the beginning, Atomwise recently introduced A.I. based 'AtomNet PoseRanker (ANPR)' with improved performance.

Business Wire
Sep 14th, 2022
Atomwise Appoints Gavin Hirst, Ph.D., As Chief Scientific Officer

SAN FRANCISCO--(BUSINESS WIRE)--Atomwise, a leader in using artificial intelligence (AI) for small molecule drug discovery, today announced the appointment of Gavin Hirst, Ph.D., as Chief Scientific Officer. Dr. Hirst brings more than 30 years of expertise in drug discovery across a range of therapeutic areas. He was instrumental in the discovery and development of lorpucitinib and mivatonib, and is co-inventor of vaborbactam, which was approved by the U.S. Food and Drug Administration in combination with meropenem. Most recently, Dr. Hirst served as Interim CSO of Turning Point Therapeutics, which was acquired in August by Bristol Myers Squibb for $4.1 billion. “At Atomwise, we continue to reimagine how drug discovery should be done, now that our AI-enabled engine allows us to interrogate novel chemical space and gives us the potential to drug challenging targets,” said Abraham Heifets, Ph.D., Co-Founder and CEO of Atomwise. “Gavin brings deep expertise in structure- and fragment-based drug discovery, and a fantastic track record in driving those initial discoveries to become new medicines to help patients. We are thrilled that he is joining our team.”

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