130 件 ・ 関連度順
概要と使いどころ
Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.
日本語の概要は準備中です。原文の説明を表示しています。
Perform comprehensive exploratory data analysis on scientific data files across 200+ file formats. This skill should be used when analyzing any scientific data file to understand its structure, content, quality, and characteristics. Automatically detects file type and generates detailed markdown reports with format-specific analysis, quality metrics, and downstream analysis recommendations. Covers chemistry, bioinformatics, microscopy, spectroscopy, proteomics, metabolomics, and general scientific data formats.
日本語の概要は準備中です。原文の説明を表示しています。
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.
日本語の概要は準備中です。原文の説明を表示しています。
理解化学科研自然语言需求，生成带来源绑定的 ResearchIntent，并通过本地确定性校验路由到七个化学 Skill、受控 Skill 链或 Workflow A/B。用于复杂、多步、模糊、需要自动编排，或可能联网、产生费用和发送数据的化学身份、结构、特征、分子库、反应和已有路线任务；毒性预测、路线生成、实验安全和放大审批不支持。
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Use ONLY when the user asks to check, validate, review or audit analysis code for scientific correctness, or when you are the reviewer agent running its checks. Never run it unprompted as part of ordinary analysis work. Covers physics, earth/geo, biology, chemistry, social science and bioprocess/fermentation. Runs a deterministic domain-correctness gate that catches code which runs but is scientifically wrong (unit/dimension mismatch, Euclidean distance on lat/lon without a CRS, 0-based/1-based coordinate and strand errors, impossible SMILES valence, uncorrected multiple comparisons, averaging a categorical code, unconstrained kinetic-parameter fits, kLa computed from raw DO instead of the driving force, arithmetic mean of raw CFU counts, ANOVA/Tukey with no assumption check, a curvature DOE design fit with a first-order model, an ML model fit across process scales with no correction). Surfaces structured findings; never claims the code is correct.
日本語の概要は準備中です。原文の説明を表示しています。
Use when targeting Global Biogeochemical Cycles (GBC) or deciding whether a biogeochemical-cycling manuscript fits this venue. Encodes the journal's system-scale fluxes/budgets/feedbacks fit, the quantitative biogeochemistry evidence bar, AGU FAIR data-deposition expectations, house style, official-submission re-check, and desk-reject heuristics.
日本語の概要は準備中です。原文の説明を表示しています。
Use when targeting Earth and Planetary Science Letters (EPSL) or deciding whether a quantitative solid-earth or planetary-science manuscript fits this venue. Encodes the journal's broad-interest process-science fit, the quantitative geochemistry/geophysics evidence bar, Elsevier house style, official-submission re-check, and desk-reject heuristics.
日本語の概要は準備中です。原文の説明を表示しています。
Basecalls raw Oxford Nanopore signal (POD5/FAST5) into reads with Dorado, choosing the chemistry-matched model and accuracy tier (fast/hac/sup), requesting modified bases (5mCG_5hmCG, 6mA, m6A) at basecall time, and handling duplex, demultiplexing, trimming, and HERRO read correction. Covers why the model+version is an irreversible analysis decision, why methylation cannot be recovered later, and why downstream polish/variant models must match the basecaller. Use when converting POD5/FAST5 to reads, picking a Dorado model for R9/R10 or RNA004, enabling methylation calling, basecalling duplex, demultiplexing barcoded runs, or correcting reads for assembly.
日本語の概要は準備中です。原文の説明を表示しています。
Calls germline small variants (SNPs and indels) from Oxford Nanopore and PacBio HiFi long reads with Clair3, a two-stage (pileup + full-alignment) deep-learning caller, selecting the chemistry- and basecaller-version-matched model, enabling read-based phasing, and benchmarking against GIAB with stratification. Covers why the model string is the experiment (no auto-detection, silent degradation on mismatch), why ONT homopolymer/STR indels are the residual error whole-genome F1 hides, and the somatic/trio/RNA boundary to the ClairS/Clair3-Trio family. Use when calling germline SNVs/indels from ONT or HiFi BAMs, choosing a Clair3 model, phasing variants, or benchmarking long-read calls.
日本語の概要は準備中です。原文の説明を表示しています。
Detects m6A modifications from Oxford Nanopore direct-RNA-seq (DRS) signal using m6Anet (multiple-instance-learning over DRACH 5-mer signal). Covers the upstream pipeline (Dorado/Guppy basecalling -> minimap2 map-ont -> nanopolish eventalign -> m6anet dataprep -> m6anet inference), per-site vs per-read probability including the mod_ratio stoichiometry column, the DRACH-only constraint, minimum-coverage thresholds (20-50 reads/site), multi-condition comparison via xPore/Nanocompore/ELIGOS, Dorado native modification calling (RNA004, 2024+), and the cDNA-vs-DRS distinction (cDNA Nanopore CANNOT detect modifications). Use when calling m6A from ONT DRS without immunoprecipitation, choosing m6Anet vs xPore vs Nanocompore vs ELIGOS vs Dorado native, interpreting probability_modified vs mod_ratio vs per-read probabilities, deciding between m6Anet (known DRACH sites) and Dorado/Remora (genome-wide screening), pinning RNA002 vs RNA004 chemistry and basecaller versions, or troubleshooting eventalign/dataprep failures.
日本語の概要は準備中です。原文の説明を表示しています。
Detect single-nucleotide crosslink (CL) sites in CLIP-seq data using truncation patterns (iCLIP/eCLIP CITS), crosslink-induced mutations (HITS-CLIP CIMS deletions, PAR-CLIP T-to-C), or HMM/kernel-density methods (PureCLIP, PARalyzer, CTK). Use when single-nucleotide resolution is required for motif registration (mCross), allele-specific binding (BEAPR), variant-effect prediction, or comparing crosslink chemistry across CLIP variants.
日本語の概要は準備中です。原文の説明を表示しています。
Analyzes base-editing screens for variant function. Covers library design (Hanna 2021 ClinVar-scale CBE screen benchmarked on BRCA1/2, Cuella-Martin 2021 DDR saturation), CBE vs ABE chemistry choice (BE3/BE4 vs ABE7.10/ABE8.20/ABE8e), editing-window math (positions 4-8 from PAM-distal end; 4-7 for ABE7.10), bystander-edit quantification and the variant-call ambiguity it creates, sgRNA-efficiency filtering before hit calling, indel byproduct interpretation, the substitution-vs-indel diagnostic, variant annotation against ClinVar / COSMIC, and the Broad be-validation-pipeline. Use when designing a BE variant screen, choosing CBE vs ABE for a specific edit, interpreting bystander-confounded hits, distinguishing functional signal from indel artifact, integrating CRISPResso2 output with screen scoring, or deciding BE vs PE for SNV installation.
日本語の概要は準備中です。原文の説明を表示しています。
Reads, writes, and converts molecular file formats (SMILES, InChI, SDF V2000/V3000, MOL2, PDB, and BinaryCIF) using RDKit and Open Babel with rigorous handling of aromaticity perception, stereochemistry, implicit/explicit hydrogens, kekulization, and salt/fragment separation. Use when loading chemical libraries, debugging parse failures, or preparing molecules for downstream standardization, descriptor calculation, or docking.
日本語の概要は準備中です。原文の説明を表示しています。
Standardizes molecular structures using the ChEMBL structure pipeline for normalization and parent selection plus RDKit rdMolStandardize for explicit custom steps such as tautomer canonicalization, salt/solvent stripping, charge handling, stereochemistry handling, mixture selection, and isotope normalization. Explicitly compares ChEMBL, canSARchem, RDKit, and PubChem standardization choices. Use when preparing libraries for QSAR training, joining datasets across sources, deduplicating compound collections, or building canonical compound registries.
日本語の概要は準備中です。原文の説明を表示しています。
Medicinal chemistry analysis, drug-likeness, and molecular optimization
日本語の概要は準備中です。原文の説明を表示しています。
Deep learning for drug discovery, materials science, and chemistry
日本語の概要は準備中です。原文の説明を表示しています。
Review academic papers for correctness, quality, and novelty using OpenJudge's multi-stage pipeline. Supports PDF files and LaTeX source packages (.tar.gz/.zip). Covers 10 disciplines: cs, medicine, physics, chemistry, biology, economics, psychology, environmental_science, mathematics, social_sciences. Use when the user asks to review, evaluate, critique, or assess a research paper, check references, or verify a BibTeX file.
日本語の概要は準備中です。原文の説明を表示しています。
Explain classroom chemistry observations and fictional potion concepts without unverified safety claims. Use for this Bot Generator Bot template; creates drafts or simulations within its declared scope.
日本語の概要は準備中です。原文の説明を表示しています。
Perform comprehensive exploratory data analysis on scientific data files across 200+ file formats. This skill should be used when analyzing any scientific data file to understand its structure, content, quality, and characteristics. Automatically detects file type and generates detailed markdown reports with format-specific analysis, quality metrics, and downstream analysis recommendations. Covers chemistry, bioinformatics, microscopy, spectroscopy, proteomics, metabolomics, and general scientific data formats.
日本語の概要は準備中です。原文の説明を表示しています。
Query ChEMBL's bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
日本語の概要は準備中です。原文の説明を表示しています。
Comprehensive collection of 128+ ready-to-use scientific skills for Claude enabling research across biology, chemistry, medicine, genomics, and advanced analysis domains.
日本語の概要は準備中です。原文の説明を表示しています。
Medicinal chemistry filters for compound triage. Drug-likeness rules (Lipinski Ro5, Veber, Oprea, CNS, leadlike, REOS, Golden Triangle, Ro3), structural alerts (PAINS, NIBR, Lilly Demerits), chemical group detectors, complexity metrics, and filter composition query language. Built on RDKit/datamol. For hit-to-lead filtering, library design, ADMET pre-screening. For molecular I/O use rdkit-cheminformatics or datamol.
日本語の概要は準備中です。原文の説明を表示しています。
Cloud quantum chemistry platform with Python SDK. Run geometry optimization, conformer generation, torsional scans, and energy minimization (DFT/semiempirical), and retrieve properties (dipole, partial charges, frontier orbitals) — no local QC software or HPC needed.
日本語の概要は準備中です。原文の説明を表示しています。
NEB-IRC activation energy pipeline for reaction barriers using GFN2-xTB and pysisyphus. Optimize reactant and product geometries, run CI-NEB path search, optimize the transition state with a Hessian, verify with IRC (one imaginary mode, endpoints matching reactant/product, single NEB maximum), and report the electronic and Gibbs barriers. Use when you need a transition state, reaction barrier, activation energy, minimum energy path, or intrinsic reaction coordinate. Covers reactant/product atom-ordering pitfalls, feasibility sizing for single-core runs, and thermochemistry corrections. Renders an IRC energy-profile plot and an animated TS imaginary-mode HTML viewer. For 2D reaction scheme drawing use rdkit-chemdraw-cdxml.
日本語の概要は準備中です。原文の説明を表示しています。