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K-Dense

@K-Dense-AI

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A world leader in empowering scientists with AI agentic tools.

659 skills8 repositories 57.2K

Skills (659)

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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 already concluded about a molecule or its class, to date an approval and count its efficacy supplements, to read an approved indication or boxed warning, and to score a drug-event pair for disproportionate reporting with PRR, ROR, and chi-squared. Also trigger on openFDA, api.fda.gov, FAERS, Drugs@FDA, SPL, NDC, pharmacovigilance, boxed warning, adverse event report, drug recall, or safety signal.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

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 network around a disease, and find direct or two-hop drug-disease connections for repurposing hypotheses. Also trigger on PrimeKG, kg.csv, Harvard Dataverse knowledge graph, disease_protein, drug_protein, indication and contraindication edges, or network pharmacology over a biomedical knowledge graph.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

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 mmCIF/PDB coordinates and biological assemblies, fetch AlphaFold models with their pLDDT confidence, and check whether a structure is actually usable before docking or simulating it. Also trigger on UniProt accessions, PDB ids, rest.uniprot.org, search.rcsb.org, files.rcsb.org, alphafold.ebi.ac.uk, id mapping, SEQRES, or missing residues.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

rowan

Free

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 small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

Analyze and engineer protein glycosylation. Scan sequences for canonical N-glycosylation sequons (N-X-S/T with X not proline, including overlapping sites), predict O-GalNAc hotspots, read glycan notation, and reach the curated external tooling (NetNGlyc, NetOGlyc, GlycoShield, GlycoWorkbench, GlyTouCan, GlyConnect). Use this skill for therapeutic antibody glycoengineering and afucosylation for ADCC, Fc glycan control, glycan shielding in vaccine immunogen design, sequon removal or insertion, and half-life engineering through sialylation. Also trigger on N-glycosylation, sequon, NXS/NXT, O-glycosylation, glycoform heterogeneity, afucosylation, high-mannose, GlyTouCan, or WURCS.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

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 (RFdiffusion, ProteinMPNN, BoltzGen), antibody and nanobody design and developability, protein-ligand docking (DiffDock, Autodock Vina), binding-affinity prediction, MSA generation, and molecular dynamics. Use when the user mentions Tamarind or tamarind.bio, wants to run any of these open-source tools in the cloud, references app.tamarind.bio/api or the x-api-key header, or needs to submit batches of sequences for structural or biophysical characterization.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

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 distribution), one- and two-compartment simulation of a dosing regimen, interspecies allometric scaling, human-equivalent dose conversion by body surface area, and the exposure margin between a projected therapeutic concentration and a toxicology no-effect level. Also trigger on non-compartmental analysis, AUC, clearance, volume of distribution, allometric scaling, human equivalent dose, first-in-human, NOAEL, therapeutic index, or exposure margin.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

Generate and optimise novel small molecules with REINVENT 4 — de novo sampling from a chemical language model, scaffold decoration with LibInvent, fragment linking with LinkInvent, and similarity-constrained analogue generation with Mol2Mol. Use this skill to set up reinforcement-learning or curriculum runs, compose a multi-parameter scoring function from docking scores, predictive models, and physicochemical desirability, and read the resulting sampled sets. Also trigger on REINVENT, LibInvent, LinkInvent, Mol2Mol, scaffold hopping, R-group replacement, linker design, chemical language model, or reinforcement-learning molecule optimisation.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

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, retrieve GWAS Catalog associations and fine-mapped credible sets for a gene, and read a natural human knockout as a safety readout. Also trigger on gnomAD, LOEUF, pLI, loss-of-function intolerance, mutational constraint, GWAS Catalog, credible set, human knockout, genetic support, or target safety dossier.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

pytdc

Free

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 task, load them with a split that does not leak, score predictions with the task's own official metric rather than a generic one, and run benchmark groups reproducibly. Also trigger on PyTDC, Therapeutics Data Commons, tdc.single_pred, tdc.multi_pred, ADMET Benchmark Group, scaffold split, get_split, or molecular oracles such as GSK3B, JNK3 and DRD2.

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K-Dense-AI/drug-discovery-agent-skills45Updated Oct 19, 2026

Rewrite dense or technical text into a clear plain-language summary with a fixed structure (TL;DR, why it matters, key points, caveats). Use when the user asks to summarize, simplify, explain, "put this in plain language", or make something readable for a general / non-expert audience.

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K-Dense-AI/skill-101-webinar8Updated Aug 19, 2026

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