Astropy
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Core Python library for astronomical data analysis, coordinate transformations, and cosmological calculations.
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77 skills
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Core Python library for astronomical data analysis, coordinate transformations, and cosmological calculations.
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Analyze, transform, and validate materials structures and computed data using the pymatgen library.
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Develop and simulate Python protocols for Opentrons Flex and OT-2 liquid handling robots.
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A workflow for validating and executing RELION single-particle cryo-EM refinement and postprocessing.
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Simulate and audit closed and open quantum-system models using the QuTiP 5 framework.
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Build, test, and analyze process-based discrete-event simulations using the SimPy library.
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Build, simulate, and execute quantum circuits using Qiskit 2.x and IBM Quantum Runtime.
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Google's open-source framework for designing, simulating, and executing quantum circuits on quantum hardware and simulators.
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Detects and reports available system resources for resource-aware workload planning without performing intrusive benchmarks.
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Perform and analyze molecular dynamics simulations for structural biology and biophysics using OpenMM and MDAnalysis.
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Perform Particle Image Velocimetry (PIV) analysis to extract and visualize fluid velocity fields from image pairs.
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Tracks physical units and propagates measurement uncertainty in scientific calculations using pint and uncertainties. Use for unit conversion and dimensional checking, GUM uncertainty budgets, Type A and Type B evaluation, coverage factors and expanded uncertainty, Monte Carlo propagation, significant-figure and plus-minus reporting, error propagation through curve fits, CODATA constants, auditing Python code for stripped units or broken uncertainty propagation, and order-of-magnitude plausibility checks using dimensionless groups (Reynolds, Peclet, Damkohler, Knudsen, Biot, Womersley), characteristic scales such as diffusion time or Debye length, and observed magnitude ranges. Trigger on "is this number physically reasonable", "sanity check these units", "what regime is this flow in", or a result that looks off by orders of magnitude.
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A structured framework for planning, executing, and documenting the validation, verification, and transfer of analytical procedures.
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A structured framework for planning, configuring, and analyzing FluidSim computational fluid dynamics simulations with rigorous safety and validity checks.
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Automated ignition delay calculation for homogeneous chemical reactors using Cantera.
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Accelerate scientific Python workloads on NVIDIA GPUs using the RAPIDS ecosystem and custom kernels.
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Develop and simulate lab automation protocols using the PyLabRobot 0.2.2 framework.
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Automated equilibrium phase calculations for thermodynamic TDB databases using pycalphad.
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Build, differentiate, and optimize quantum circuits and hybrid quantum-classical models using PennyLane.
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A reproducible workflow for processing 1D NMR free-induction decays into phased spectra and integrated regions.
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A comprehensive framework for geospatial research, covering remote sensing, GIS, spatial statistics, and Earth observation data processing.
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Parametric CAD for laboratory hardware with automated interface verification and fabrication artifact generation.
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A workflow for calculating seawater carbonate chemistry, mineral saturation, and uncertainty propagation using PyCO2SYS.
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Simulate lithium-ion battery experiments using PyBaMM with automated numerical validation and parameter provenance.