simulation-property-kt
模拟计算液相的压缩系数(isothermal compressibility),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式
模拟计算液相的压缩系数(isothermal compressibility),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式
模拟计算液相的热膨胀系数(coefficient of thermal expansion),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式
Generate evidence-based documentary reports by searching across all 4 memory systems (Claude-Mem, Forgetful, Serena, DeepWiki), .agents/ artifacts, and GitHub issues. Produces investigative journalism-style analysis with full citation chains.
4-phase research methodology: codebase recon, targeted web search, deep source analysis, and evidence synthesis. Use when investigating patterns, evaluating libraries, or analyzing best practices. TRIGGER when: research, investigate, evaluate options, compare libraries. DO NOT TRIGGER when: implementation tasks, bug fixes, routine code changes.
Work with astronomical data using AstroPy for FITS file I/O, coordinate transformations, physical units, precise time handling, catalog cross-matching, photutils photometry, and specutils spectroscopy.
Use this Skill for archaeological photogrammetry: 3D point cloud processing, mesh analysis, cross-section profiles, and volume measurement with Open3D.
ROS2 robotics development with rclpy: nodes, topics, services, actions, tf2 transforms, and Nav2 navigation.
Use this Skill for historical GIS: georeferencing historical maps with GDAL, digitizing boundaries, temporal territory change overlays, and historical population interpolation.
Use this Skill for archaeological GIS: site catchment analysis, viewshed computation, kernel density estimation, and spatial statistics with GeoPandas.
Seismological data analysis with ObsPy — FDSN waveform download, response removal, phase picking, moment tensor inversion, and seismicity mapping.
Read, reproject, resample, and analyze multispectral GeoTIFF imagery with rioxarray and rasterio; compute NDVI/EVI, mask clouds, mosaic scenes, and export Cloud-Optimized GeoTIFFs.
SymPy symbolic computation for physics: algebra, calculus, linear algebra, ODE solving, Lagrangian mechanics, quantum physics, and code generation.
Download and analyze ERA5 reanalysis climate data via the Copernicus CDS API, compute anomalies, trend analysis, and produce publication-quality climate maps.
Atmospheric analysis with MetPy and Siphon: download NWP data from THREDDS/NOMADS, plot skew-T log-P diagrams, compute CAPE/CIN parcel metrics, and build synoptic composites.
Use this Skill for seismological analysis with ObsPy: waveform download, filtering, P/S phase picking, moment magnitude, and spectral analysis.
SciPy numerical toolkit for physics: ODE/PDE solving, FFT analysis, optimization, numerical integration, and sparse linear algebra with real-world examples.
Download and analyze oceanographic data from Copernicus Marine Service and Argo floats using copernicusmarine, gsw, and xarray.
Astronomical data analysis with astropy and astroquery — FITS I/O, WCS transforms, catalog cross-matching, aperture photometry, and CMB power spectra.
Use this Skill for 3D scientific visualization with Mayavi: vector fields, isosurfaces, volume rendering, and animated 3D plots for physics data.
Scientific method for validating claims with pre-registration, power analysis, statistical rigor, and Bayesian methods. Use when testing hypotheses, running experiments, or validating claims from papers. TRIGGER when: validate, hypothesis, experiment, backtest, evidence, statistical test. DO NOT TRIGGER when: routine coding, config changes, documentation, non-experimental tasks.
Use this Skill for educational measurement with IRT: 2PL/3PL calibration, item information function, DIF detection, and test equating (Stocking-Lord).
Data version control with DVC covering pipeline tracking, remote storage, experiment comparison, and reproducible ML workflows for research.
Music information retrieval with librosa: tempo, chroma, MFCCs, spectral features, onset detection, harmonic-percussive separation, pitch, and k-NN similarity search.