「db」の検索結果

mdtraj molecular dynamics trajectory analysis (Python). Reads DCD/XTC/TRR/NetCDF/H5/PDB topologies and trajectories; computes RMSD vs time, radius of gyration, per-residue RMSF, residue-residue contact frequency maps, phi/psi torsions for Ramachandran plots (general + Gly/Pro), and 8-state DSSP secondary structure. Modules: trajectory I/O, geometry (distances/angles/dihedrals), structural analysis (RMSD/Rg/RMSF/SASA), contacts, hydrogen bonds, secondary structure (DSSP), NMR observables. For broader atom-selection grammar use mdanalysis-trajectory; for running MD simulations use OpenMM/GROMACS.

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Open-source FAIR biology data framework. Version artifacts (AnnData, DataFrame, Zarr), track lineage, validate via ontologies (Bionty), query datasets. Integrates with Nextflow, Snakemake, W&B, scVI. For scRNA-seq use scanpy; for ontology lookups use bionty.

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HuggingFace Transformers with biomedical LMs (BioBERT, PubMedBERT, BioGPT, BioMedLM) for scientific NLP: NER (genes, diseases, chemicals), relation extraction, QA, text classification, abstract summarization. Covers loading, biomedical tokenization, inference pipelines, fine-tuning. Alternatives: spaCy en_core_sci_lg (rule-based NER), Stanza (biomedical models), NLTK.

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Core Python library for astronomy/astrophysics: units with dimensional analysis, celestial coordinate transforms (ICRS/Galactic/AltAz/FK5), FITS I/O, tables (FITS/HDF5/VOTable/CSV), cosmology (Planck18, distance/age), precise time (UTC/TAI/TT/TDB, Julian, barycentric), WCS pixel-world mapping, model fitting. For general tables use pandas/polars; for radio interferometry use CASA.

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Python library for healthcare ML on EHR data: process MIMIC-III/IV, eICU, OMOP-CDM; encode medical codes (ICD, ATC, NDC); build patient-level datasets; train Transformer, RETAIN, GRASP, MedBERT for mortality, drug recommendation, readmission, diagnosis prediction. Alternatives: FIDDLE (preprocessing), clinical-longformer (clinical NLP), ehr-ml (embeddings).

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Chunked N-D arrays with compression and cloud storage. NumPy-style indexing. Backends: local, S3, GCS, ZIP, memory. Dask/Xarray integration for parallel and labeled computation. For lineage use lamindb; for labeled arrays use xarray.

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Fast in-memory DataFrame with lazy evaluation, parallel execution, Arrow backend. Use for tabular data in RAM (1–100 GB) when pandas is too slow. Expression API: select, filter, group_by, joins, pivots, window. Lazy mode enables predicate/projection pushdown. Reads CSV, Parquet, JSON, Excel, DBs, cloud. Larger-than-RAM: Dask; GPU: cuDF.

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3Dmol.js WebGL molecular visualization emitted as self-contained HTML. Render structures (PDB/SDF/XYZ/MOL2/cube) with stick, sphere, cartoon, line, and surface styles; animate trajectories with a frame-delay (interval, ms) control; and animate vibrational normal modes via vibrate() from per-atom dx/dy/dz displacements or from precomputed frames. Output standalone HTML that loads 3Dmol from a CDN, with optional play/pause and speed controls. Use for transition-state imaginary-mode animations, MD or reaction-path playback, docking poses, and orbital/density isosurfaces. For static 2D chemical structure drawings use rdkit-chemdraw-cdxml; for 2D statistical plots use matplotlib or plotly.

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Benchling R&D Python SDK: CRUD on registry entities (DNA, RNA, proteins, custom), inventory, ELN, workflow automation. Needs Benchling account and API key. Use biopython for local sequence analysis; pubchem for chemical DBs.

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MaxQuant + Perseus proteomics pipeline: run MaxQuant for LFQ and SILAC; parse proteinGroups.txt in Python; filter contaminants/decoys; log2 + median-normalize; impute MNAR; t-test with FDR; volcano plot; GO/pathway enrichment. Use Proteome Discoverer for Thermo-native processing; FragPipe/MSFragger for GPU-accelerated DB search.

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Query Metabolomics Workbench REST API (4,200+ NIH studies) for metabolite ID, study discovery, RefMet standardization, m/z precursor searches, and gene/protein annotations. Quirks: compound input_item rejects `name` (use pubchem_cid/kegg_id/inchi_key/etc.); free-text → compound is a two-step refmet/match→refmet/name flow; moverz endpoint returns TSV text, not JSON. Use hmdb-database for local XML; pubchem-compound-search for general compound lookup.

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Auto-annotate plasmids with features (promoters, terminators, resistance, origins, tags, fluorescent proteins) via BLAST against curated DBs (Addgene, fpbase, SnapGene). FASTA or raw sequence in; annotated GenBank, interactive HTML maps, CSV tables out. Handles circular topology. Use to verify synthetic constructs, prep Addgene submissions, share maps, or batch-annotate cloning libraries.

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Unify 6+ memory systems into AgentDB with HNSW indexing for 150x-12,500x search improvements. Implements ADR-006 (Unified Memory Service) and ADR-009 (Hybrid Memory Backend).

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Persistent compounding memory for AI agents. 5 default MCP tools: session_start, session_end, remember, recall, check. Full surface: 6 tools with --full (adds check_action); 13 tools with AR_EXTRAS=1 --full. Two-verb model: inhale (session_start) and exhale (session_end). Correction-first memory with decision trail tracking, watch_for warnings, palace rooms with salience scoring, cross-project insight matching, same-day journal merging, ambient recall hooks. Local markdown only. Zero cloud, zero telemetry, Obsidian-compatible. Optional Supabase backend: when configured via `ar setup supabase`, recall() uses pgvector cosine similarity on OpenAI/Voyage embeddings instead of keyword search — same API, semantic understanding. Gracefully degrades to local search if not configured.

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AWS serverless and event-driven architecture expert based on Well-Architected Framework. Use when building serverless APIs, Lambda functions, REST APIs, microservices, or async workflows. Covers Lambda with TypeScript/Python, API Gateway (REST/HTTP), DynamoDB, Step Functions, EventBridge, SQS, SNS, and serverless patterns. Essential when user mentions serverless, Lambda, API Gateway, event-driven, async processing, queues, pub/sub, or wants to build scalable serverless applications with AWS best practices.

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Provides advanced AWS CLI patterns for managing EC2, Lambda, S3, DynamoDB, RDS, VPC, IAM, and CloudWatch. Generates bulk operation scripts, automates cross-service workflows, validates security configurations, and executes JMESPath queries for complex filtering. Triggers on "aws cli help", "aws command line", "aws scripting", "aws automation", "aws batch operations", "aws bulk operations", "aws cli pagination", "aws multi-region", "aws profiles", "aws cli troubleshooting".

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Provides AWS CloudFormation patterns for Amazon RDS databases. Use when creating RDS instances (MySQL, PostgreSQL, Aurora), DB clusters, multi-AZ deployments, parameter groups, subnet groups, and implementing template structure with Parameters, Outputs, Mappings, Conditions, and cross-stack references.

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Provides comprehensive Drizzle ORM patterns for schema definition, CRUD operations, relations, queries, transactions, and migrations. Proactively use for any Drizzle ORM development including defining database schemas, writing type-safe queries, implementing relations, managing transactions, and setting up migrations with Drizzle Kit. Supports PostgreSQL, MySQL, SQLite, MSSQL, and CockroachDB.

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Provides Codex CLI delegation workflows for complex code generation and development tasks using OpenAI's GPT-5.3-codex models, including English prompt formulation, execution flags, sandbox modes, and safe result handling. Use when the user explicitly asks to use Codex for complex programming tasks such as code generation, refactoring, or architectural analysis. Triggers on "use codex", "delegate to codex", "run codex cli", "ask codex", "codex exec", "codex review".

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Creates and scaffolds a new Spring Boot project (3.x or 4.x) by downloading from Spring Initializr, generating package structure (DDD or Layered architecture), configuring JPA, SpringDoc OpenAPI, and Docker Compose services (PostgreSQL, Redis, MongoDB). Use when creating a new Java Spring Boot project from scratch, bootstrapping a microservice, or initializing a backend application.

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Provides configuration patterns for LangChain4J vector stores in RAG applications. Use when building semantic search, integrating vector databases (PostgreSQL/pgvector, Pinecone, MongoDB, Milvus, Neo4j), implementing embedding storage/retrieval, setting up hybrid search, or optimizing vector database performance for production AI applications.

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Use swift-snapshot-testing to visually verify SwiftUI views during implementation. Renders views to PNG for comparison against design references. Fast feedback loop (~25s/cycle).

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When the user asks for a code review, shares code for feedback, or says "review this", "check my code", "what's wrong with this". Also activate when reviewing a pull request or diff.

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Develop and deploy Lakeflow Jobs on Databricks via DABs, Python SDK, or the CLI. Use when creating data engineering jobs with notebooks, Python wheels, SQL, dbt, or pipelines. Invoke BEFORE starting implementation.

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