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K-Dense

@K-Dense-AI

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adaptyv

免费

How to use the Adaptyv Bio Foundry API and Python SDK for protein experiment design, submission, and results retrieval. Use this skill whenever the user mentions Adaptyv, Foundry API, protein binding assays, protein screening experiments, BLI/SPR assays, thermostability assays, or wants to submit protein sequences for experimental characterization. Also trigger when code imports `adaptyv`, `adaptyv_sdk`, or `FoundryClient`, or references `foundry-api-public.adaptyvbio.com`.

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K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

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 the output on the in-silico metrics that predict experimental success — interface predicted TM-score, predicted aligned error at the interface, buried surface area, and shape complementarity. Also trigger on BindCraft, RFdiffusion, ProteinMPNN, minibinder, hallucination, inverse folding, hotspot residue, epitope targeting, ipTM, or de novo binder.

中文简介正在准备中。当前显示原文说明。

K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

Structure-based docking with AutoDock Vina, Vinardo, and AutoDock4 through the Meeko toolchain. Use this skill to define a docking box, prepare receptors and ligands as PDBQT, run single or batch docking, rescore, and interpret affinities, poses, and ligand efficiency. Covers box definition from a reference ligand or pocket residues, protonation and tautomer decisions, flexible side chains, exhaustiveness and seeds, redocking validation, and virtual screening over compound libraries. Also trigger on vina, smina, gnina, mk_prepare_ligand, mk_prepare_receptor, mk_export, scrub.py, PDBQT, autogrid4, docking box, or binding-pose prediction.

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K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

pytdc

免费

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-skills452026年10月19日 更新

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.

中文简介正在准备中。当前显示原文说明。

K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein and protein-ligand systems with PDBFixer, choose force fields and water models (AMBER14, CHARMM36m, ff19SB, GAFF2, TIP3P), solvate and add ions, run energy minimization, NVT/NPT equilibration and production MD on GPU, then analyze trajectories for RMSD, RMSF, radius of gyration, hydrogen bonds, native contacts, PCA and free energy surfaces. Use this skill for protein stability under mutation, ligand binding-mode and residence-time questions, conformational sampling, membrane proteins, and disordered ensembles. Also trigger on OpenMM, MDAnalysis, mdtraj, Simulation.step, LangevinMiddleIntegrator, PDBFixer, DCD or XTC trajectory, RMSD analysis, or production MD.

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K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

Estimate how likely a protein therapeutic is to provoke an anti-drug antibody response, and locate the sequence regions responsible. Use this skill to tile a sequence into peptides, predict class II MHC presentation across a population-representative allele panel, aggregate predicted binders into a per-region and whole-molecule risk score, compare a candidate against its closest human germline, and decide which liabilities are worth deimmunising. Also trigger on immunogenicity, anti-drug antibody, ADA, T-cell epitope, MHC class II, HLA-DRB1, NetMHCIIpan, NetMHCpan, deimmunisation, tregitope, or population coverage.

中文简介正在准备中。当前显示原文说明。

K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

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.

中文简介正在准备中。当前显示原文说明。

K-Dense-AI/drug-discovery-agent-skills452026年10月19日 更新

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-skills452026年10月19日 更新

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-skills452026年10月19日 更新

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-webinar82026年8月19日 更新

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