End-to-end drug discovery platform combining ChEMBL compounds, DrugBank, targets, and FDA labels. Natural language powered by Valyu.
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Patterns for computer-aided drug discovery including virtual screening, molecular docking, ADMET prediction, lead optimization, and integration with AI/ML methods. Covers both structure-based and...
drugbank-database
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Access and analyze comprehensive drug information from the DrugBank database including drug properties, interactions, targets, pathways, chemical structures, and pharmacology data. This skill...
discovery-caller
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Expert discovery call strategist for B2B sales. Use when preparing for discovery calls, qualifying prospects, asking effective questions, identifying pain points, mapping stakeholders, or...
product-discovery
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Expert in product discovery - the continuous process of understanding what customers need and what solutions will work. Covers customer research, problem validation, solution testing, opportunity...
product-discovery
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Conducts discovery sessions for features/products. Explores concept definition, business model, user journeys, competitive analysis, success metrics, and scoping decisions. Use when you need to...
opentargets-database
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Query Open Targets Platform for target-disease associations, drug target discovery, tractability/safety data, genetics/omics evidence, known drugs, for therapeutic target identification.
product-discovery
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Expert product discovery guidance for user research and problem validation. Use when conducting user interviews, validating problems, applying jobs-to-be-done framework, sizing opportunities,...
zinc-database
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Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.
drug-labels-search
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Search FDA drug labels with natural language queries. Official drug information, indications, and safety data via Valyu.
pytdc
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Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.
torchdrug
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PyTorch-native graph neural networks for molecules and proteins. Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom...
chembl-database
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Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
pdb-database
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Access RCSB PDB for 3D protein/nucleic acid structures. Search by text/sequence/structure, download coordinates (PDB/mmCIF), retrieve metadata, for structural biology and drug discovery.
alphafold-database
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Access AlphaFold 200M+ AI-predicted protein structures. Retrieve structures by UniProt ID, download PDB/mmCIF files, analyze confidence metrics (pLDDT, PAE), for drug discovery and structural biology.
pattern-discovery
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Pattern library discovery for pattern-first development. Use BEFORE implementing any new feature, creating components, writing API routes, or adding database operations. Ensures existing patterns...
project-discovery
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Guide through requirements gathering before coding. Creates PROJECT.md with vision, features, tech stack decisions, and success criteria. Asks the key question - does this need a database?...
datamol
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Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints,...
discovery
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Quick user-centric interview to capture requirements from a time-poor stakeholder.
docs-discovery
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Technical documentation discovery via context7 and web search. Capabilities: library/framework docs lookup, topic-specific search. Keywords: llms.txt, context7, documentation, library docs, API...