Chembl Database
This gives you direct access to ChEMBL's 2+ million bioactive compounds and 19 million activity measurements through Python. You can search by molecular structure, filter by properties like IC50 or Ki values, find inhibitors for specific targets, and pull drug mechanism data. It's built on the chembl_webresource_client and supports Django-style filters for complex queries. Really useful if you're doing medicinal chemistry work, SAR studies, or drug repurposing research and need to quickly grab compound-target interaction data without writing your own EBI API wrapper. The caching is sensible and it handles pagination automatically, so you can iterate through large result sets without thinking about it.
- skills.sh installs
- 278
- GitHub stars
- 33.2K
- last updated
- Aug 21, 2026
Install
$ npx -y skills add davila7/claude-code-templates --skill chembl-database --agent claude-codeInstalls into .claude/skills of the current project.
Files
ChEMBL Database
Overview
ChEMBL is a manually curated database of bioactive molecules maintained by the European Bioinformatics Institute (EBI), containing over 2 million compounds, 19 million bioactivity measurements, 13,000+ drug targets, and data on approved drugs and clinical candidates. Access and query this data programmatically using the ChEMBL Python client for drug discovery and medicinal chemistry research.
When to Use This Skill
This skill should be used when:
- Compound searches: Finding molecules by name, structure, or properties
- Target information: Retrieving data about proteins, enzymes, or biological targets
- Bioactivity data: Querying IC50, Ki, EC50, or other activity measurements
- Drug information: Looking up approved drugs, mechanisms, or indications
- Structure searches: Performing similarity or substructure searches
- Cheminformatics: Analyzing molecular properties and drug-likeness
- Target-ligand relationships: Exploring compound-target interactions
- Drug discovery: Identifying inhibitors, agonists, or bioactive molecules
Installation and Setup
Python Client
Sponsors
Agent CaffeineSponsoredClose your lid, come back to finished work
SnugSponsoredThe clipboard manager for the AI eraPromote your product hereReach 125k+ visitors monthly
WaxSponsoredBlock anything with supervision, without erasing your iPhonePromote your product hereReach 125k+ visitors monthly
knobsSponsoredSee your site on any phone, any day, in any languageDetails
- Repository
- github.com/davila7/claude-code-templates
- Categories
- Backend & APIs, Data Science & ML, Sales & Marketing, Databases
- First seen
- Jun 3, 2026
More from davila7/claude-code-templates
All 618- Deepchem278
- Rwkv Architecture277
- Sentencepiece277
- Using Git Worktrees277
- Free Tool Strategy276
- Qms Audit Expert276
- Railway Metrics276
- Nnsight Remote Interpretability275
- Pytdc275
- Railway Domain275
- Firecrawl Scraper274
- Simpo Training273
- Gene Database272
- Uniprot Database269
- File Uploads268
- Simpy265
- Meme Factory264
- Metabolomics Workbench Database264
- Slack Gif Creator264
- Concise Planning263
- Diffdock262
- Clinpgx Database261
- Tavily Web260
- Gget259
Recommended
More Backend & APIs
sql-server-2025josiahsiegel/claude-plugin-marketplaceSQL Server 2025 and SqlPackage 170.2.70 (October 2025) — vector databases, AI integration, and modern features. PROACTIVELY activate for: (1) SQL Server 2025 fe260skills.sh installs
api-versioning-deprecation-plannerpatricio0312rev/skillsPlans safe API evolution with versioning strategies, client migration guides, deprecation timelines, and backward compatibility considerations. Use for "API ver260skills.sh installs
sec-proxy-analysisoctagonai/skillsAnalyze proxy statements (DEF 14A) to extract executive compensation, governance information, and shareholder voting matters using Octagon MCP. Use when researc252skills.sh installs
api-integration-builderdaffy0208/ai-dev-standardsBuild reliable third-party API integrations including OAuth, webhooks, rate limiting, error handling, and data sync. Use when integrating with external services244skills.sh installs
firebase-firestore-enterprise-native-modefirebase/skillsfirebase firestore enterprise native mode240skills.sh installs