Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
Reference documentation for PDBx/mmCIF dictionary queries and category lookup
PICO-based clinical question search. Triggers: PICO, ่จๅบๅ้ก, AๆฏBๅฅฝๅ, treatment comparison, clinical question, ็ๆๆฏ่ผ
Generate, explain, and test regular expressions with examples and test cases. Use when creating regex patterns or understanding complex regular expressions.
Search and download NMR spectroscopy datasets from nmrxiv.org. Use when the user asks to find NMR data, search for HSQC/HMBC/COSY/DEPT experiments, look up compounds by name or SMILES, download NMR datasets, or access nmrxiv.org data programmatically. Outputs JSON for easy parsing.
Pattern filter normalization and multi-gate order entry system
Hydraulic engineering domain knowledge for OpenSolve Pipe development. Use when implementing solvers, adding components, or reviewing hydraulic calculations.
Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, PubChem as secondary.
Provides a deep understanding of chemistry through a technical-philosophical approach, for research and education tasks. In research tasks, you will use technical and logical understanding of the subtopics of the different theoretical models of chemistry and particles, as well as taking examples from the different historical chains of thought that have guided scientific advancement in chemistry throughout human history, compiled in this skill. For education, you will lead and guide the user to understand and predict the behavior of subatomic particles and how they interact to form molecules and compounds, as well as explain the chemical processes that occur in nature and industry, taking as an example the information compiled in this skill.
Test speleothem earthquake detection against modern earthquake catalogs. Use when validating methodology, checking if cave detects known earthquakes, building validation matrix. Triggers on "validate cave", "test detection", "modern earthquake validation", "blind test".
Apply wave physics principles when working on simulation code. Use this skill when editing files in src/waves/, src/simulation/, or when the user mentions wave behavior, shoaling, breaking, or foam physics.
Deep technical assistant for projects that combine Neural Quantum States (FFNN and Transformer-based) with Sample-based Quantum Diagonalization (SQD). Trigger this skill whenever the task involves: (1) designing or analyzing NQS architectures for quantum chemistry, (2) connecting classical samplers to qiskit-addon-sqd, (3) studying sample-efficiency, bias, and variance in few-sample regimes (e.g. 12โ14-bit H2).
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Guidelines for Stan models with ODE-based dynamics using modern interfaces
Full simulation validation workflow. Run comprehensive checks comparing simulation output to NFL statistical targets across all categories.
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Guidelines for visual predictive checks following Sรคilynoja et al. recommendations using ArviZ
Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.
Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
Support clinical trial safety planning using FDA adverse event data. Use when users ask about safety monitoring plans, protocol safety sections, comparator drug safety, or special population considerations for clinical trials.
