deepchem
無料Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
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概要と使いどころ
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
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。
Document toolkit (.docx). Create/edit documents, tracked changes, comments, formatting preservation, text extraction, for professional document processing.
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Comprehensive toolkit for protein language models including ESM3 (generative multimodal protein design across sequence, structure, and function) and ESM C (efficient protein embeddings and representations). Use this skill when working with protein sequences, structures, or function prediction; designing novel proteins; generating protein embeddings; performing inverse folding; or conducting protein engineering tasks. Supports both local model usage and cloud-based Forge API for scalable inference.
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Agile product ownership toolkit for Senior Product Owner including INVEST-compliant user story generation, sprint planning, backlog management, and velocity tracking. Use for story writing, sprint planning, stakeholder communication, and agile ceremonies.
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Primary Python toolkit for molecular biology. Preferred for Python-based PubMed/NCBI queries (Bio.Entrez), sequence manipulation, file parsing (FASTA, GenBank, FASTQ, PDB), advanced BLAST workflows, structures, phylogenetics. For quick BLAST, use gget. For direct REST API, use pubmed-database.
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Toolkit for styling artifacts with a theme. These artifacts can be slides, docs, reportings, HTML landing pages, etc. There are 10 pre-set themes with colors/fonts that you can apply to any artifact that has been creating, or can generate a new theme on-the-fly.
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Use when breaking out of a container or escalating inside Kubernetes — runc/BuildKit CVEs, privileged/capability/cgroup misconfig escapes, NVIDIA GPU toolkit escape, K8s RBAC abuse, kubelet RCE, ingress/admission-controller RCE, node-to-cluster pivot
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Toolkit for interacting with and testing local web applications using Playwright. Supports verifying frontend functionality, debugging UI behavior, capturing browser screenshots, and viewing browser logs.
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Master modern React state management with Redux Toolkit, Zustand, Jotai, and React Query. Use when setting up global state, managing server state, or choosing between state management solutions.
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Cheminformatics toolkit for molecular analysis and virtual screening: SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints (Morgan/ECFP, MACCS), Tanimoto similarity, SMARTS substructure filtering, Lipinski drug-likeness, reaction enumeration, 2D/3D coordinates. For simpler API use datamol; use RDKit for fine-grained sanitization, custom fingerprints, or SMARTS/reaction control.
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CLI toolkit for SAM/BAM/CRAM: sort, index, convert, filter, QC alignments. Core commands: view, sort, index, flagstat, stats, depth, markdup, merge. Required between alignment and variant/peak calling. Use pysam for Python-native BAM access; deeptools for normalized coverage tracks.
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scikit-learn compatible Python toolkit for time series ML: classify, cluster, regress, segment, transform with 30+ algorithms (ROCKET, InceptionTime, KNN-DTW, HIVE-COTE, WEASEL). Handles panel, multivariate, and unequal-length series. Maintained successor to sktime. Alternatives: sktime (larger ecosystem), tslearn (fewer algorithms), catch22 (features only).
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Python toolkit for neurophysiological signal processing: ECG (HR, HRV, R-peaks), EEG (complexity, PSD), EMG (activation onset), EDA/GSR (SCR decomposition), PPG, and RSP. Includes synthetic signal simulation. Alternatives: BioSPPy (less maintained), MNE (EEG/MEG specialist), heartpy (ECG only), scipy.signal (raw DSP).
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Graph and network analysis toolkit. Four graph types (directed, undirected, multi-edge), centrality, shortest paths, community detection, generators, I/O (GraphML, GML, edge list), matplotlib viz. For large graphs (100K+ nodes) use igraph or graph-tool; for GNNs use PyG.
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Molecular biology toolkit: sequence manipulation, FASTA/GenBank/PDB I/O, NCBI Entrez, BLAST automation, pairwise/MSA alignment, Bio.PDB, phylogenetic trees. Use for batch processing, custom pipelines, format conversion, PubMed/GenBank queries. For quick gene lookups use gget; for multi-service REST APIs use bioservices.
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Scaffold a new SciAgent-Skills entry. Picks pipeline/toolkit/database/guide template, creates skills/{category}/{name}/SKILL.md with valid frontmatter, appends the registry.yaml entry, runs validation. Enforces name uniqueness, kebab-case, description keyword rules, schema rules from AGENTS.md. TRIGGER when user says (any language): "add a SciAgent skill", "add a skill for <X>", "create new skill", "create a SKILL.md for <X>", "scaffold a skill", "new skill entry", "register a skill", "신규 skill 추가", "스킬 만들어줘", "스킬 생성", "skill 만들어", or any request to add a new SKILL.md to this repo. ALWAYS invoke this skill BEFORE writing to skills/ or registry.yaml. DO NOT TRIGGER when: editing existing entry's content (just edit the file directly); migrating an existing entry (read AGENTS.md "Migrating from Existing Entries" first); only updating registry.yaml without creating a new SKILL.md.
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Computational pathology toolkit for whole-slide images (WSIs): load slides, extract tiles, stain normalization, nuclear segmentation, feature extraction, and ML training. Supports H&E and multiplex. For end-to-end pipelines from raw WSIs to quantitative outputs.
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Best practices for Docker-based ROS2 development including multi-stage Dockerfiles, docker-compose for multi-container robotic systems, DDS discovery across containers, GPU passthrough for perception, and dev-vs-deploy container patterns. Use this skill when containerizing ROS2 workspaces, setting up docker-compose for robot software stacks, debugging DDS communication between containers, configuring NVIDIA Container Toolkit for GPU workloads, forwarding X11/Wayland for rviz2 and GUI tools, or managing USB device passthrough for cameras and serial devices. Trigger whenever the user mentions Docker with ROS2, docker-compose for robots, Dockerfile for colcon workspaces, container networking for DDS, devcontainer for ROS2, multi-stage builds for ROS2, or deploying ROS2 in containers. Also trigger for CI/CD with Docker-based ROS2 builds, CycloneDDS or FastDDS configuration in containers, or shared memory in Docker. Covers Humble, Jazzy, and Rolling distributions across Ubuntu 22.04 and 24.04 base images.
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Comprehensive Pandas toolkit for construction data analysis. Filter, group, aggregate BIM elements, calculate quantities, merge datasets, and generate reports from structured construction data.
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PRD・要件定義書・要求資料・レビューの生成に使用。 「PRDを作って」「要件定義書を書いて」「レビューして」「議事録を分析して」等のリクエストで発動。
Run and interpret repo diagnostic scripts (ratchets, validators, token stats). Use when measuring health. Do not use to run tests; use night-market-operations.
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Use when working with ESPnet speech AI toolkit: installation, ESPnet2 recipes and training, pretrained inference/model zoo, ESPnet3 stage workflows, and repository testing.
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SDT 内容生产工具箱的总入口:根据当前任务选择最合适的 sdt-* 模块,既能完成标题、开头等单一步骤,也能组织从账号研究到发布的完整流程。用户不知道该用哪个 SDT Skill,或希望一站式完成内容生产时使用。 English: Main entry point for the SDT content-production toolkit. Use when the user is unsure which sdt-* skill to choose, wants a single step such as a title or hook, or wants an end-to-end workflow from account research to publishing.
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。
Mandatory skills, conventions, and behavioral rules for Avalonia UI development using the Zafiro toolkit.
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。