Agent Skills for small-molecule and protein therapeutics: cheminformatics, molecular ML, docking and dynamics, protein design platforms, and target-discovery knowledge graphs.
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Query the Open Targets Platform GraphQL API for target-disease associations, genetic and clinical evidence, tractability and safety liabilities, target prioritisation metrics, known drugs and mechanisms of action, and disease ontology. Use this skill for target identification and validation, target-disease evidence…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Query the FDA's public openFDA APIs for post-market drug data — FAERS adverse-event reports, Drugs@FDA approval and submission history, Structured Product Labels including boxed warnings, the National Drug Code directory, recall enforcement reports, and drug shortages. Use this skill to check what a regulator has…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Find out whether a chemical series is already claimed, using SureChEMBL's patent-extracted compound corpus and, where a key is available, PatentsView for legal status and assignee history. Use this skill to trace a structure to the patent documents that disclose it, survey an assignee's filings around a target, and…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Turn in vitro potency and animal pharmacokinetics into a defensible human dose projection — the arithmetic that decides whether a compound can reach its target concentration safely. Use this skill for non-compartmental analysis of a concentration-time profile (AUC, Cmax, terminal half-life, clearance, volume of…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Query the Precision Medicine Knowledge Graph (PrimeKG) for multiscale biological relationships across genes and proteins, drugs, diseases, phenotypes, pathways, biological processes, exposures and anatomy. Use this skill to search entities by name, pull direct neighbours and their evidence types, summarise the local…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Design new proteins that bind a chosen surface, using BindCraft's AlphaFold2-guided hallucination or the RFdiffusion backbone plus ProteinMPNN sequence pipeline. Use this skill to specify a target epitope by hotspot residue, trim a receptor to the region worth designing against, set up a design campaign, and filter…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Use Therapeutics Data Commons through the PyTDC Python package for registry discovery, approved dataset access, task-aware splits (scaffold, cold-start, temporal, combination), evaluator metrics, benchmark groups, and bounded molecular-oracle workflows. Use this skill to find which TDC datasets exist for a therapeutic…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Cheminformatics toolkit for fine-grained molecular control. Parse and write SMILES, SDF, MOL and InChI; compute descriptors (MW, LogP, TPSA, QED, Bertz); build fingerprints (Morgan/ECFP, RDKit, MACCS, atom pair, torsion) and score Tanimoto, Dice or cosine similarity; run SMARTS substructure search and reaction SMARTS…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Plan synthetic routes and judge whether a proposed molecule can actually be made, using AiZynthFinder's Monte-Carlo tree search over template-derived reactions and a purchasable building-block stock. Use this skill to configure expansion and filter policies, choose a stock file, run route search over a candidate set…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Access a collection of open-source molecular design and structural biology tools on the Tamarind Bio platform, via its REST API or MCP server — no local GPUs required. Tamarind bundles popular open-source models for structure prediction (AlphaFold, Boltz, Chai, ESMFold), protein, binder, and de novo design…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Assemble the human genetic evidence for and against a target before a programme commits to it — the evidence class that most improves the odds of surviving clinical development. Use this skill to pull gnomAD constraint metrics (LOEUF, pLI, observed/expected) that show whether loss of function is tolerated in people…
K-Dense-AI/drug-discovery-agent-skills
Skill Claude Code
Retrieve protein sequences, annotation, and structures from UniProtKB, the RCSB PDB, and AlphaFold DB. Use this skill to resolve a gene or protein name to a UniProt accession, pull sequences and FASTA files, find binding sites and domains, search the PDB by UniProt accession, sequence, ligand, or text, download…
At most 3 mods per repository are shown here, and a mod shipped inside a plugin is left to that plugin's page — the rest are on their repository pages: