Agent skills

Skills you can use with AI coding agents, indexed from public GitHub repositories.

Latest Most Popular

vasp Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations
jkitchin/skillz 23
python-jax Expert guidance for JAX (Just After eXecution) - high-performance numerical computing with automatic differentiation, JIT compilation, vectorization, and GPU/TPU acceleration; includes transformations (grad, jit, vmap, pmap), sharp bits, gotchas, and differences from NumPy
jkitchin/skillz 23
idaes Comprehensive guidance for using IDAES (Institute for the Design of Advanced Energy Systems) for process systems engineering. Covers flowsheet modeling, property packages, unit models, optimization, scaling, initialization, and diagnostics. Use when working with chemical process simulations, energy systems modeling, power plant design, material and energy balances, or process optimization. Triggers include 'IDAES', 'flowsheet', 'process model', 'unit operation', 'process optimization', 'property package', 'energy systems', or process engineering tasks.
jkitchin/skillz 23
pycalphad Expert guidance for pycalphad - computational thermodynamics library implementing the CALPHAD method for calculating phase diagrams, phase equilibria, and thermodynamic properties of multicomponent materials systems using thermodynamic databases (TDB files)
jkitchin/skillz 23
python-optimization Expert guidance for mathematical optimization in Python - systematic problem classification, library selection (scipy, pyomo, cvxpy, GEKKO), solver configuration, and implementation patterns for LP, QP, NLP, MIP, convex, and global optimization problems
jkitchin/skillz 23
fairchem Expert guidance for Meta's FAIRChem library - machine learning methods for materials science and quantum chemistry using pretrained UMA models with ASE integration for fast, accurate predictions
jkitchin/skillz 23
pymatgen Comprehensive guidance for using pymatgen (Python Materials Genomics) for computational materials science. Covers structure creation and manipulation, file I/O (CIF, POSCAR, XYZ), symmetry analysis, Materials Project API integration, phase diagrams, electronic structure analysis, and DFT input generation. Use when working with crystal structures, materials properties, computational chemistry calculations, or materials databases. Triggers include 'pymatgen', 'crystal structure', 'Materials Project', 'CIF file', 'POSCAR', 'band structure', 'phase diagram', or materials analysis tasks.
jkitchin/skillz 23
python-plotting Comprehensive plotting and visualization in Python - matplotlib (static publication-quality plots), seaborn (statistical visualization), and plotly (interactive plots); includes plot types, customization, best practices, and library selection guidance
jkitchin/skillz 23
emacs-lisp Expert guidance for writing professional Emacs Lisp code following the community-driven Emacs Lisp Style Guide by Bozhidar Batsov. Covers layout, naming conventions, syntax preferences, macros, documentation, and best practices. Use this skill when writing Emacs configuration, creating Emacs packages, writing interactive commands, developing major/minor modes, or refactoring Emacs Lisp code. Emphasizes: lexical binding, proper naming, documentation standards, autoloading, and community conventions.
jkitchin/skillz 23
python-multiobjective-optimization Expert guidance for multiobjective optimization in Python - Pareto optimality, evolutionary algorithms (NSGA-II, NSGA-III, MOEA/D), scalarization methods, Pareto front analysis, and implementation with pymoo, platypus, and DEAP
jkitchin/skillz 23
claude-light Expert assistant for conducting remote experiments with Claude-Light - a web-accessible RGB LED and spectral sensor instrument for statistics, regression, optimization, and design of experiments
jkitchin/skillz 23
python-regression-statistics Expert guidance for regression analysis, statistical modeling, and outlier detection in Python using statsmodels, scikit-learn, scipy, and PyOD - includes model diagnostics, assumption checking, robust methods, and comprehensive outlier detection strategies
jkitchin/skillz 23
design-of-experiments Expert guidance for Design of Experiments (DOE) in Python - interactive goal-driven design selection, classical DOE (factorial, response surface, screening), Bayesian optimization with Gaussian processes, model-driven optimal designs, active learning, and sequential experimentation; includes pyDOE3, pycse, BoTorch, Ax, scikit-optimize, statsmodels
jkitchin/skillz 23
phd-qualifier Expert evaluation of Chemical Engineering PhD qualifying exams - review written reports, presentations, and prepare comprehensive questioning sessions to assess student readiness for doctoral research
jkitchin/skillz 23
opentrons-gripper Opentrons Flex Gripper - automated labware movement between deck locations, modules, waste chute, and off-deck storage with precise positioning and offset control for hands-free plate transfers
jkitchin/skillz 23
opentrons-thermocycler Opentrons Thermocycler Module - automated PCR thermal cycling with independent block (4-99°C) and lid (37-110°C) temperature control, profile execution, and auto-sealing lid support (GEN2) for high-throughput molecular biology workflows
jkitchin/skillz 23
opentrons Expert guidance for Opentrons Python API v2 - automated liquid handling, protocol development, labware management, and hardware module integration for OT-2 and Flex robots
jkitchin/skillz 23
opentrons-temperature-module Opentrons Temperature Module - precise heating and cooling (4-95°C) for sample storage, enzyme reactions, and temperature-sensitive protocols with aluminum block adapters for plates, tubes, and PCR strips
jkitchin/skillz 23
opentrons-magnetic-block Opentrons Magnetic Block for Flex - unpowered magnetic bead separation using gripper-based labware movement with high-strength neodymium magnets for DNA/RNA purification, immunoprecipitation, and bead-based workflows
jkitchin/skillz 23
opentrons-heater-shaker Opentrons Heater-Shaker Module - temperature control (37-95°C) with orbital mixing (200-3000 rpm) for cell culture, enzymatic reactions, and sample preparation requiring simultaneous heating and agitation
jkitchin/skillz 23
opentrons-absorbance-reader Opentrons Absorbance Plate Reader Module for Flex - on-deck microplate spectrophotometry with single/multi-wavelength reading (380-740nm in 10nm increments), automated lid control, and CSV data export for ELISA, cell growth, and colorimetric assays
jkitchin/skillz 23
scientific-writing Comprehensive scientific writing guidance for research papers, grants, and technical documentation. Covers paper structure (IMRAD), methods writing, results presentation, figure/table design, citation formatting, abstract writing, and revision responses. Use when users are writing scientific papers, formatting manuscripts, responding to reviewers, writing grant proposals, or need help with any aspect of scientific communication. Triggers include 'write a paper,' 'scientific writing,' 'format my manuscript,' 'methods section,' 'respond to reviewers,' or any research writing task.
jkitchin/skillz 23
eln Professional scientific documentation in org-mode electronic lab notebooks with date-based organization, comprehensive record-keeping of hypotheses, methods, results, reasoning, and outcomes for reproducible research
jkitchin/skillz 23
materials-databases Expert assistant for accessing materials databases (AFLOW and Materials Project) - query crystal structures, materials properties, thermodynamic data, and computational results from comprehensive databases
jkitchin/skillz 23