「computational」の検索結果

Computational thinking as a problem-solving discipline independent of programming languages. Covers the four pillars (decomposition, pattern recognition, abstraction, algorithm design), computational problem-solving methodology (understand, decompose, generalize, formalize, verify), abstraction levels (from hardware through user interface), modeling and simulation, automata and formal languages (DFA, NFA, regular expressions, context-free grammars, Turing machines), computational complexity classes (P, NP, NP-complete, undecidable), and constructionist pedagogy (learning by building, Logo, Scratch, physical computing). Use when approaching unfamiliar problems, teaching problem-solving strategies, analyzing problem complexity, or bridging between domain knowledge and computational solutions.

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Think and work like an expert Computational Scientist. Use when a task calls for Computational Scientist judgment. Reasons from Roache code/solution verification and ASME V&V 10/20/40 credibility through MMS/GCI, UQ ensembles, and Snakemake/Nextflow/CWL pipelines with conda-lock/Apptainer provenance while treating environment drift, workflow cache staleness, and validation-vs-calibration conflation as first-class failure modes.

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Think and work like an expert Computational Physicist. Use when a task calls for Computational Physicist judgment. Reasons from governing equations, discretization, and HPC scaling through code/solution verification, DFT, MD, Monte Carlo, and FEM/FVM workflows (VASP, LAMMPS, COMSOL, OpenFOAM, QE).

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Think and work like an expert Computational Social Scientist. Use when a task calls for Computational Social Scientist judgment. Reasons from social mechanisms, measurement validity, and sampling frames through DAGs, fixed-effects and IV/DiD/RDD designs, ERGM/SAOM network models, and human-audited text classifiers while treating unobserved homophily, network interference and SUTVA violations, platform-driven selection, bot contamination, and digital-skew unrepresentativeness as first-class failure modes.

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Think and work like an expert Computational Chemist. Use when a task calls for Computational Chemist judgment. Reasons from Kohn–Sham DFT, def2/D4 functional selection, and conformer ensembles through VASP/Gaussian/ORCA, AMBER/GROMACS MD, CREST/CENSO sampling, ONIOM/QM/MM electrostatic embedding, GMTKN55 validation, and SCF convergence escalation while treating B3LYP/6-31G*, BSSE, link-atom artifacts, and force-field mismatch as first-class failure modes.

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Think and work like an expert Computational Neuroscientist. Use when a task calls for Computational Neuroscientist judgment. Reasons from encoding/decoding, GLM/LNP spike-train likelihood, mean-field E-I balance, and neural manifolds through NEST/Brian/NEURON/BMTK, GPFA/LFADS, Brain-Score alignment, and trained-RNN reverse engineering while treating spike-sorting contamination, model non-identifiability, nested-CV leakage, and task-optimization≠mechanism as first-class failure modes.

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Think and work like an expert Computational Linguist. Use when a task calls for Computational Linguist judgment. Reasons from UD/PTB formalisms, validate.py/eval.py (LAS/MLAS/ELAS), and evalb .prm settings through Stanza/UDPipe pipelines, PropBank/FrameNet/AMR/UMR layers, IAA (κ, Krippendorff α), CONDA contamination checks, and ARR reproducibility while treating tokenizer mismatch, oracle inflation, train–test leakage, and guideline drift as first-class failure modes.

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Expert-level computational biology covering molecular dynamics simulation, protein structure prediction, systems biology, network analysis, and machine learning in biology.

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Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.

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This skill should be used at the start of any computationally intensive scientific task to detect and report available system resources (CPU cores, GPUs, memory, disk space). It creates a JSON file with resource information and strategic recommendations that inform computational approach decisions such as whether to use parallel processing (joblib, multiprocessing), out-of-core computing (Dask, Zarr), GPU acceleration (PyTorch, JAX), or memory-efficient strategies. Use this skill before running analyses, training models, processing large datasets, or any task where resource constraints matter.

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Use when refactoring research code for publication, adding documentation to existing analysis scripts, creating reproducible computational workflows, or preparing code for sharing with collaborators. Transforms research code into publication-ready, reproducible workflows. Adds documentation, implements error handling, creates environment specifications, and ensures computational reproducibility for scientific publications.

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Snapshot the computational environment for a replication package — detects the analysis stack (R / Stata / Python) and emits the right lockfiles (renv.lock + sessionInfo.txt, requirements.txt / environment.yml / uv.lock, Stata version + ado package list), records seeds and RNG kind, optionally writes a pinning Dockerfile, and produces a paste-ready "Computational requirements" block. Use when user says "capture the environment", "snapshot my dependencies", "pin the versions", "make a renv.lock / requirements.txt", "make this byte-reproducible", or before releasing a replication package to openICPSR / the AEA Data Editor.

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Use when deciding whether a project fits ACL versus EMNLP, NAACL, EACL, TACL, Computational Linguistics, COLM, or an ML venue, covering contribution typing for NLP work, long-versus-short paper choice, the annual theme track, Findings-tier expectations, and sharpening the computational-linguistics framing before writing starts.

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This skill should be used at the start of any computationally intensive scientific task to detect and report available system resources (CPU cores, GPUs, memory, disk space). It creates a JSON file with resource information and strategic recommendations that inform computational approach decisions such as whether to use parallel processing (joblib, multiprocessing), out-of-core computing (Dask, Zarr), GPU acceleration (PyTorch, JAX), or memory-efficient strategies. Use this skill before running analyses, training models, processing large datasets, or any task where resource constraints matter.

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algorithmic-art workflow skill. Use this skill when the user needs Algorithmic philosophies are computational aesthetic movements that are then expressed through code. Output .md files (philosophy), .html files (interactive viewer), and .js files (generative algorithms) and the operator should preserve the upstream workflow, copied support files, and provenance before merging or handing off.

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。

algorithmic-art workflow skill. Use this skill when the user needs Algorithmic philosophies are computational aesthetic movements that are then expressed through code. Output .md files (philosophy), .html files (interactive viewer), and .js files (generative algorithms) and the operator should preserve the upstream workflow, copied support files, and provenance before merging or handing off.

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。

algorithmic-art workflow skill. Use this skill when the user needs Algorithmic philosophies are computational aesthetic movements that are then expressed through code. Output .md files (philosophy), .html files (interactive viewer), and .js files (generative algorithms) and the operator should preserve the upstream workflow, copied support files, and provenance before merging or handing off.

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。

algorithmic-art workflow skill. Use this skill when the user needs Algorithmic philosophies are computational aesthetic movements that are then expressed through code. Output .md files (philosophy), .html files (interactive viewer), and .js files (generative algorithms) and the operator should preserve the upstream workflow, copied support files, and provenance before merging or handing off.

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Applies the computational biology and AI-driven reasoning of Aviv Regev (computational biologist, Genentech, single-cell genomics). Use this skill whenever the user is dealing with experimental design, high-dimensional data analysis, integrating AI into scientific workflows, scaling biological research, or navigating noisy, complex systems. Trigger this for topics like single-cell genomics, drug discovery, biological atlases, interdisciplinary research strategy, or when deciding between depth vs. breadth in data collection.

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Calculus, series, numerical methods, and optimization for computational mathematics. Covers limits (epsilon-delta, L'Hopital, squeeze theorem), derivatives (rules, optimization, related rates), integrals (Riemann sums, Fundamental Theorem of Calculus, integration techniques), series (convergence tests, Taylor and Maclaurin expansions), differential equations (separable, linear, exact), numerical methods (Newton-Raphson, Euler method, Simpson's rule), and computational pitfalls (floating-point arithmetic, catastrophic cancellation, numerical stability). Use when computing derivatives, integrals, limits, series, solving differential equations, or analyzing numerical accuracy.

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Expert-level computational chemistry knowledge. Use when working with molecular dynamics, density functional theory, force fields, quantum chemistry calculations, molecular docking, free energy calculations, or cheminformatics. Also use when the user mentions 'DFT', 'molecular dynamics', 'force field', 'AMBER', 'GROMACS', 'Gaussian', 'basis set', 'geometry optimization', 'molecular docking', 'free energy perturbation', 'QSAR', or 'cheminformatics'.

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This skill should be used at the start of any computationally intensive scientific task to detect and report available system resources (CPU cores, GPUs, memory, disk space). It creates a JSON file with resource information and strategic recommendations that inform computational approach decisions such as whether to use parallel processing (joblib, multiprocessing), out-of-core computing (Dask, Zarr), GPU acceleration (PyTorch, JAX), or memory-efficient strategies. Use this skill before running analyses, training models, processing large datasets, or any task where resource constraints matter.

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Use this skill when working with scientific research tools and workflows across bioinformatics, cheminformatics, genomics, structural biology, proteomics, and drug discovery. This skill provides access to 600+ scientific tools including machine learning models, datasets, APIs, and analysis packages. Use when searching for scientific tools, executing computational biology workflows, composing multi-step research pipelines, accessing databases like OpenTargets/PubChem/UniProt/PDB/ChEMBL, performing tool discovery for research tasks, or integrating scientific computational resources into LLM workflows.

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Gateway to 400+ genomics and computational biology skills.

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。