Atomwise

Atomwise pioneered the use of deep convolutional neural networks for structure-based drug discovery, with its AtomNet platform applying AI to virtual screening of small molecules against protein targets. The company ran the Artificial Intelligence Molecular Screen (AIMS) academic collaboration program, partnered with biotech and pharma companies on discovery contracts, and built an internal pipeline of small-molecule programs. As of 2026, atomwise.com redirects to Numerion Labs (numerionlabs.ai), reflecting an apparent rebrand or successor entity that positions itself as an AI superplatform exploring drug-like chemical space with programs in immune and inflammatory diseases. Atomwise never exposed a public commercial API; AtomNet screening was delivered to partners as a service. The legacy GitHub organization (github.com/atomwise) hosts no public repositories.

Atomwise is profiled on the APIs.io network. Tagged areas include Drug Discovery, Biotech, Pharmaceuticals, Structure-Based Drug Design, and Virtual Screening.

🌐 Visit website 📡 Source on GitHub

7.4/100 minimal ▬ flat Agent 0/100 human only Full breakdown ↓
scored 2026-07-27 · rubric v0.5

0 APIs

Drug DiscoveryBiotechPharmaceuticalsStructure-Based Drug DesignVirtual ScreeningDeep LearningConvolutional Neural NetworksAtomNetSmall MoleculesCheminformaticsAIMS ProgramNumerion Labs

Kin Score

Kin Score How this is scored →
scored 2026-07-27 · rubric v0.5

Composite quality — 7.4/100 · minimal

Contract Quality 0.0 / 25

Developer Ergonomics 0.0 / 20

Commercial Clarity 0.0 / 20

Operational Transparency 0.7 / 13

Governance 0.0 / 12

Discoverability 6.8 / 10

Agent readiness — 0/100 · human only

Machine-Readable Contract 0 / 18

Agentic Access Contract 0 / 15

MCP Server 0 / 12

Machine-Readable Auth 0 / 10

Idempotency 0 / 9

Stable Error Semantics 0 / 8

Request/Response Examples 0 / 7

Rate-Limit Signaling 0 / 7

Typed Event Surface 0 / 6

Agent Skills 0 / 5

Well-Known Catalog 0 / 4

Consent & Bot Identity 0 / 3

Improve this rating by publishing the missing artifacts — every area above can be raised, and the full rubric is at apis.io/rating/. This rating is computed from github.com/api-evangelist/atomwise: open an issue to ask a question, or submit a pull request to add artifacts. Want it done for you? Prioritized profiling — $2,500 →

Build 1

SDKs, sample code, and the tooling you integrate with

GitHubOrganization

GitHubOrganization

Access & Security 1

Authentication, authorization, and security posture

DomainSecurity

DomainSecurity

Company 4

The organization behind the API

Website

Website

LinkedIn

Twitter

Twitter

Crunchbase

Crunchbase

Other 1

Properties that don't map to a standard resource type

Successor

Successor

Source (apis.yml)

aid: atomwise
name: Atomwise
description: Atomwise pioneered the use of deep convolutional neural networks for structure-based drug discovery, with its
  AtomNet platform applying AI to virtual screening of small molecules against protein targets. The company ran the Artificial
  Intelligence Molecular Screen (AIMS) academic collaboration program, partnered with biotech and pharma companies on discovery
  contracts, and built an internal pipeline of small-molecule programs. As of 2026, atomwise.com redirects to Numerion Labs
  (numerionlabs.ai), reflecting an apparent rebrand or successor entity that positions itself as an AI superplatform exploring
  drug-like chemical space with programs in immune and inflammatory diseases. Atomwise never exposed a public commercial API;
  AtomNet screening was delivered to partners as a service. The legacy GitHub organization (github.com/atomwise) hosts no
  public repositories.
type: Index
accessModel:
  pricing: unknown
  onboarding: unknown
  trial: false
  try_now: false
  public: false
  label: Unknown
  confidence: low
  source: []
  generated: '2026-07-22'
  method: derived
position: Provider
access: 3rd-Party
image: https://kinlane-images.s3.amazonaws.com/shared/apis-json/icons/atomwise.png
tags:
- Drug Discovery
- Biotech
- Pharmaceuticals
- Structure-Based Drug Design
- Virtual Screening
- Deep Learning
- Convolutional Neural Networks
- AtomNet
- Small Molecules
- Cheminformatics
- AIMS Program
- Numerion Labs
url: https://raw.githubusercontent.com/api-evangelist/atomwise/refs/heads/main/apis.yml
created: '2026-05-23'
modified: '2026-05-23'
specificationVersion: '0.20'
apis: []
common:
- type: DomainSecurity
  url: security/atomwise-domain-security.yml
- type: Website
  url: https://www.atomwise.com
- type: Successor
  url: https://numerionlabs.ai
- type: GitHubOrganization
  url: https://github.com/atomwise
- type: LinkedIn
  url: https://www.linkedin.com/company/atomwise-inc-
- type: Twitter
  url: https://twitter.com/AtomwiseInc
- type: Crunchbase
  url: https://www.crunchbase.com/organization/atomwise
maintainers:
- FN: Kin Lane
  email: kin@apievangelist.com