Products

AtomNet
Atomwise
Drug Discovery & Research
Atomwise's AtomNet platform uses structure-based AI modeling and deep learning to predict how small molecules will bind to specific proteins, screening billions of compounds against disease targets to accelerate drug discovery.

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About Atomwise

Atomwise is a pioneering healthcare AI company that leverages deep learning and artificial intelligence (AI) to revolutionize small molecule drug discovery. Their core technology, AtomNet, is a patented deep convolutional neural network. This platform is trained on vast datasets, including millions of structure-activity data points and thousands of protein structures, to predict the bioactivity of small molecules in 3D with high speed and accuracy.

For physicians, Atomwise’s technology means a significant acceleration in the identification and development of potential new medicines. By rapidly screening billions of compounds in silico, AtomNet can pinpoint promising drug candidates and explore novel chemical spaces, including those for historically ‘undruggable’ targets. This approach aims to reduce the time and cost associated with traditional drug discovery, ultimately bringing new therapies to patients faster. Atomwise collaborates with pharmaceutical and agrochemical companies, academic institutions, and hospitals to advance research in diverse areas such as leukemia, Ebola, multiple sclerosis, and various rare diseases.

Focus Areas

AI-powered drug discovery small molecule drug discovery deep learning computational chemistry preclinical drug development oncology metabolic disorders neurodegenerative diseases infectious diseases

Business Intelligence

Key InvestorsDCVC, B Capital Group, Monsanto Growth Ventures, Sanabil Investments, Tencent Holdings, Y Combinator, Dolby Family Ventures, AME Cloud Ventures, Khosla Ventures, Bill & Melinda Gates Foundation, Baidu Ventures, Section 32, SV Health Investors
PartnershipsSanofi, Eli Lilly and Company, Bayer, Hansoh Pharmaceuticals, Bridge Biotherapeutics, StemoniX, Pfizer
TechnologyAtomNet® (proprietary deep convolutional neural network), NVIDIA GPUs on AWS, WEKA data platform

What Physicians Need to Know

AI-Powered Drug Discovery
Atomwise pioneered the application of convolutional neural networks (CNNs) to drug discovery, enabling rapid analysis of complex molecular data and prediction of effective compound interactions with protein targets. Their AtomNetu00ae platform can virtually screen billions of compounds in silico, identifying promising small molecule scaffolds and exploring novel chemical spaces, including previously undruggable targets.
Small Molecule Drug Discovery
Atomwise specializes in identifying, expanding, and optimizing novel small molecule drug candidates. Their AI-driven platform significantly improves hit discovery, hit expansion, and lead optimization, making early-stage drug development more efficient and data-driven.
Deep Learning & Computational Chemistry
The company leverages advanced machine learning models, including deep learning and CNNs, to process and interpret vast datasets of molecular structures. This allows for predicting molecular interactions at the atomic level and exploring novel chemical spaces.
Preclinical Drug Development
Atomwise develops preclinical solutions and has a pipeline of small-molecule drug candidates advancing into preclinical studies. They support organizations looking to innovate in therapeutic areas such as oncology and rare diseases.
Therapeutic Areas
Atomwise has demonstrated programs and collaborations in oncology, metabolic disorders, neurodegenerative diseases, and infectious diseases. They have worked on targets related to leukemia, Ebola, multiple sclerosis, and Chagas disease.
Physician Tip

For physicians, Atomwise's AI-powered drug discovery platform offers the potential for faster development of novel small molecule therapies, particularly for challenging or previously 'undruggable' targets. This could lead to a broader range of treatment options and potentially first-in-class or best-in-class medicines across various therapeutic areas, including oncology, metabolic disorders, neurodegenerative diseases, and infectious diseases. The technology aims to reduce the time and cost associated with traditional drug discovery, ultimately accelerating the availability of new treatments for patients.

Atomwise's core product, AtomNetu00ae, is a proprietary deep-learning platform for structure-based virtual screening and small-molecule design at massive scale. It operates as an upstream R&D engine, integrating into existing project workflows for pharmaceutical, biotechnology, and academic R&D teams. Their technology stack includes SciPy, Unpkg, oEmbed, Hammer.js, Microsoft, DocuSign, PHP, and Python, and they leverage NVIDIA GPUs on AWS with the WEKA data platform for supercomputing-scale resources.

Products by Atomwise

1 product in the directory

AtomNet
Atomwise
Drug Discovery & Research
Atomwise's AtomNet platform uses structure-based AI modeling and deep learning to predict how small molecules will bind to specific proteins, screening billions of compounds against disease targets to accelerate drug discovery.

What the Web Says

Atomwise is generally viewed as a pioneering company in AI-driven drug discovery, leveraging deep learning to accelerate the identification of potential drug candidates. While praised for its innovative technology and scientific contributions, some employer reviews highlight challenges related to management, work-life balance, and internal communication.

Overall: Mixed

Strengths

  • Innovative AI technology for drug discovery (AtomNet)
  • Strong scientific foundation and research focus
  • Potential to significantly accelerate drug development
  • Collaborative and intelligent colleagues
  • Meaningful work with a positive impact on health
  • Good benefits package (according to some reviews)

Limitations

  • Challenges with management and leadership communication
  • Work-life balance can be an issue due to demanding environment
  • Lack of clear career progression paths for some roles
  • Internal processes and organization could be improved
  • High pressure environment due to startup nature and ambitious goals
  • Compensation not always competitive for all positions

Based on reviews from: Glassdoor, Reddit, Biotech industry news and articles, Healthcare IT review sites (general mentions of AI in drug discovery)

Last updated: 2026-10-07

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Press & Coverage

Endpoints News
Exclusive: AI biotech Atomwise hires new CEO, raises $45M Series C
Atomwise has appointed Steve Worland as its new CEO and closed an unreported $45 million Series C funding round in March 2024, led by B Capital and Khosla Ventures. The company aims to advance its first drug candidate, a TYK2 inhibitor, into human testing.
2025-02
Business Wire
Atomwise Appoints Steve Worland, Ph.D. as Chief Executive Officer
Atomwise announced the appointment of Steve Worland, Ph.D. as CEO, bringing over three decades of R&D experience to advance the company's AI-enabled drug discovery platform and proprietary pipeline. Mike Varney, Ph.D., a pioneer in drug discovery, was also appointed Lead Independent Director of the Board.
2025-02
PR Newswire
Numerion Labs Publishes Breakthrough AI Research on Ultra-Fast Screening of Hyper-Scalable Virtual Libraries with NVIDIA
Numerion Labs, formerly Atomwise, released a research paper co-authored with NVIDIA introducing APEX, a new computational protocol for ultra-fast virtual screening of billions of compounds in seconds. This technology aims to accelerate hit discovery in drug development.
2025-10
Business Wire
Atomwise Publishes Results from 318-Target Study Showcasing AtomNet AI Platform's Ability to Discover Structurally Novel Chemical Matter
Atomwise published results from its AIMS initiative, demonstrating that its AtomNet AI Platform successfully identified structurally novel hits for 235 of 318 targets, achieving high hit rates across diverse protein classes. The study, involving over 250 academic labs, establishes AtomNet as a viable alternative to traditional high-throughput screening.
2024-04
BioSpace
Atomwise Announces Nomination of its First AI-Driven Development Candidate Focused on TYK2 Inhibition and Appoints Neely Mozaffarian, MD, PhD as Chief Medical Officer
Atomwise nominated its first AI-driven development candidate, a TYK2 inhibitor, with potential to treat autoimmune and autoinflammatory diseases, targeting an IND submission in 2H 2024. The company also appointed Neely Mozaffarian, MD, PhD, as Chief Medical Officer.
2023-10
Business Wire
Atomwise Signs Multi-Target Research Collaboration with Sanofi
Atomwise announced a strategic research collaboration with Sanofi to leverage its AtomNetu00ae platform for computational discovery and research of multiple small molecule programs. This partnership includes an upfront payment and potential milestones and royalties.
2022-08
Business Wire
Atomwise Raises $123 Million in Series B Financing Co-Led by B Capital Group and Sanabil
Atomwise closed an oversubscribed $123 million Series B financing round, co-led by B Capital Group and Sanabil Investments, bringing its total capital raised to nearly $175 million. The funding will scale its AI platform, expand corporate partnerships, and grow its internal drug programs.
2020-08
BioSpace
Atomwise and Bridge Biotherapeutics Sign $1B Deal to Unlock Blockbuster Potential in Inflammation
Atomwise and Bridge Biotherapeutics announced a research collaboration to launch up to 13 small molecule programs for inflammatory diseases, with Atomwise potentially receiving up to $1.08 billion in payments. The collaboration will initially target Pellino proteins.
2020-03

Frequently Asked Questions

Atomwise utilizes a deep learning-powered computational chemistry platform, AtomNet, to rapidly screen billions of small molecules for potential drug candidates. This AI-driven approach significantly accelerates the hit identification and lead optimization phases of preclinical drug development, allowing for the discovery of novel compounds with desired properties across various therapeutic areas.
Atomwise's technology can address challenges such as identifying novel chemical scaffolds, optimizing lead compounds for potency and selectivity, and predicting potential off-target effects. In preclinical development, it has been applied to discover potential treatments for various conditions, including oncology, metabolic disorders, and neurodegenerative diseases, by efficiently sifting through vast chemical spaces.
Atomwise has established numerous partnerships with pharmaceutical companies and academic institutions, leading to a pipeline of drug candidates. While specific clinical trial progression details for all partnered programs may be proprietary, their collaborations aim to advance promising small molecules through the drug development process.
Atomwise employs rigorous validation processes for its AI models and utilizes high-quality, curated datasets. While specific regulatory compliance details for AI platforms are evolving, Atomwise focuses on generating robust and reproducible data to support preclinical drug development, aligning with industry best practices for data integrity and scientific rigor.
Atomwise typically engages with partners through collaborative research agreements, which can involve upfront fees, milestone payments, and royalties on successful drug candidates. The specific pricing structure varies depending on the scope of the project, the therapeutic area, and the level of collaboration.
Atomwise provides comprehensive scientific and technical support, including access to their computational chemistry experts, deep learning specialists, and medicinal chemists. This support extends from initial target assessment and virtual screening to lead optimization and data analysis, ensuring partners can effectively leverage the platform.
Atomwise aims to remain at the forefront of AI-powered drug discovery by continuously advancing its deep learning algorithms and expanding its platform's capabilities. Their long-term vision includes broadening their therapeutic focus and forging new partnerships to accelerate the discovery of life-saving medicines, demonstrating a commitment to sustained innovation and growth.

Investors

Who's funded Atomwise.

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