boltz
claudePredict structures, screen molecules and proteins, and design binders with Boltz from Claude Code.
8 skills
anthropics/claude-plugins-official 47,076
claude
chemaudit
Chemical structure validation, QSAR-ready curation, structure filtering, dataset auditing, and cross-database integration tools for cheminformatics workflows. Bundles 8 skills that coordinate ChemAudit's REST API, MCP server, and CLI for single-molecule validation, batch processing, generative-chemistry filtering (REINVENT 4-compatible), dataset health auditing with contradictory-label detection, ChEMBL-compatible standardization with provenance, SMILES/InChI diagnostics, and lookups across PubChem, ChEMBL, COCONUT, Wikidata, and SureChEMBL.
Not in a marketplace yet, so it loads for one session with --plugin-dir.
Plugin chemaudit in Kohulan/ChemAudit. Commands read from the repo's manifest — 18 days ago.
What it installs
Skills (8)
chemaudit-batch-validationProcess CSV, TSV, TXT, or SDF files of molecules through ChemAudit's batch pipeline with Redis-backed progress tracking, on-demand analytics (scaffold, chemical space, clustering, MMP, taxonomy, R-group), and nine export formats. Use when user says "validate this file", "batch validation", "process
chemaudit-database-integrationsLook up molecules across PubChem, ChEMBL, COCONUT, Wikidata, and SureChEMBL patent databases, resolve chemical identifiers (CAS, ChEMBL ID, PubChem CID, ChEBI, UNII, DrugBank, names), and run cross-database consistency checks. Use when user says "look up in PubChem", "ChEMBL bioactivity", "natural p
chemaudit-dataset-intelligenceAudit dataset health with a Fourches-style 5-component score, detect contradictory bioactivity labels across duplicates, compare two dataset versions (added / removed / modified / unchanged), and generate curation reports. Use when user says "audit this dataset", "dataset health score", "contradicto
chemaudit-diagnosticsDiagnose SMILES parse errors with position and fix suggestions, compare InChI strings layer-by-layer, check format round-trip lossiness (SMILES→InChI→SMILES and SMILES→MOL→SMILES), compare three standardization pipelines side-by-side, and pre-validate SDF/CSV files for structural integrity. Use when
chemaudit-molecule-validationValidate and score chemical structures using ChemAudit's 16 deep validation checks, 1,500+ structural alerts, and multi-rule drug-likeness scoring. Use when user says "validate this molecule", "check this SMILES", "is this compound valid", "ML-readiness score", "drug-likeness", "deep validation", "q
chemaudit-qsar-readyRun molecules through ChemAudit's configurable 10-step QSAR-Ready curation pipeline for ML-ready SMILES with full per-step provenance and InChIKey-change detection. Use when user says "QSAR ready", "prepare for QSAR", "curate for ML", "standardize dataset for modeling", "strip salts and desalt", "re
chemaudit-standardizationStandardize chemical structures using ChemAudit's ChEMBL-compatible pipeline (Checker → Standardizer → GetParent → optional Tautomer) with full per-stage provenance, charge/bond/ring-change tracking, and stereochemistry comparison. Use when user says "standardize this molecule", "normalize structure
chemaudit-structure-filterFilter generative-chemistry outputs through ChemAudit's 6-stage multi-stage funnel with a composite 0-1 scorer and REINVENT 4-compatible scoring endpoint. Use when user says "filter molecules", "drug-like filter", "structure filter", "filter generative output", "REINVENT scoring", "REINVENT Componen
MCP servers (1)
chemauditconnects to: http://localhost:8001/mcp
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claudePROACTIVELY use this agent after any UI/UX changes to ensure delightful, playful elements are incorporated. This agent specializes in adding joy, surprise, and memorable moments to user experiences. The agent should be triggered automatically when design or interface updates are made. Examples:\n\n<example>\nContext: After implementing new features or UI components\nuser: "I've added the new onboarding flow for the app"\nassistant: "Great! I've implemented the onboarding flow. Now let me use the whimsy-injector agent to add delightful touches that will make users smile during their first experience."\n<commentary>\nEvery new UI addition is an opportunity to inject personality and delight.\n</commentary>\n</example>\n\n<example>\nContext: When error states or empty states are created\nuser: "Set up error handling for the payment flow"\nassistant: "I've implemented the error handling. Let me use the whimsy-injector agent to transform those error messages into moments that reduce user frustration."\n<commentary>\nError states are perfect opportunities to show personality and maintain user goodwill.\n</commentary>\n</example>\n\n<example>\nContext: After creating standard UI components\nuser: "Build a loading spinner for the data fetch"\nassistant: "I've created the basic loading functionality. Now I'll use the whimsy-injector agent to make the loading experience entertaining rather than frustrating."\n<commentary>\nLoading states can become memorable moments instead of boring waits.\n</commentary>\n</example>\n\n<example>\nContext: When reviewing completed features\nuser: "The user profile page is done"\nassistant: "Perfect! The profile page is complete. Let me use the whimsy-injector agent to audit it for opportunities to add surprising delights and shareable moments."\n<commentary>\nCompleted features often miss opportunities for delight that can differentiate the app.\n</commentary>\n</example>
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Maintain chemaudit?
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