xjtulyc

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Astronomical data analysis with astropy and astroquery — FITS I/O, WCS transforms, catalog cross-matching, aperture photometry, and CMB power spectra.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill to solve PDEs with the finite element method using FEniCS/dolfinx: weak form formulation, mesh generation with gmsh, Poisson/elasticity problems, boundary conditions, and paraview export.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for classical molecular dynamics simulations with LAMMPS: force field selection (LJ, EAM, CHARMM), NVT/NPT ensembles, RDF/MSD post-processing, and OVITO visualization.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for 3D scientific visualization with Mayavi: vector fields, isosurfaces, volume rendering, and animated 3D plots for physics data.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill when simulating physical systems with Monte Carlo methods: statistical integration, MCMC sampling, Ising model, error estimation.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Seismological data analysis with ObsPy — FDSN waveform download, response removal, phase picking, moment tensor inversion, and seismicity mapping.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Physics-informed neural networks, neural ODEs, and data-driven force-field learning using PyTorch, DeepXDE, and torchdiffeq.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for quantum computing experiments with Qiskit: qubit circuits, gates, measurement, VQE/QAOA variational algorithms, noise models, and statevector vs shot simulation.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

SciPy numerical toolkit for physics: ODE/PDE solving, FFT analysis, optimization, numerical integration, and sparse linear algebra with real-world examples.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

SymPy symbolic computation for physics: algebra, calculus, linear algebra, ODE solving, Lagrangian mechanics, quantum physics, and code generation.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Labeled multi-dimensional array analysis with xarray: NetCDF/HDF5 I/O, lazy Dask loading, rechunking, Zarr stores, and CF conventions.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Atomic Simulation Environment (ASE) for atomistic simulations: structure building, geometry optimization, NEB, molecular dynamics, and trajectory analysis.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill to query ChEMBL for bioactivity data: target lookup, IC50/Ki retrieval, activity cliffs, SAR tables, and pChEMBL-normalized values.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Analyze molecular dynamics trajectories with MDAnalysis — RMSD, RMSF, hydrogen bonds, contact maps, and protein-ligand distances.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Process and analyze NMR spectra with nmrglue — FID processing, peak picking, chemical shift referencing, and J-coupling extraction.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for chemical file format interconversion (SDF, SMILES, MOL2, PDB), 3D coordinate generation, conformer enumeration, and reaction SMARTS.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for materials science with pymatgen: crystal structure manipulation, Materials Project API queries (bandgap, DOS, formation energy), phase diagrams, and symmetry analysis.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for quantum chemistry calculations with PySCF: HF/DFT single-point energy, geometry optimization, MP2/CCSD(T) post-HF methods, basis set selection, and molecular orbital analysis.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for cheminformatics with RDKit: SMILES/InChI parsing, Morgan fingerprints, Tanimoto similarity, Murcko scaffold decomposition, substructure search, and chemical space visualization.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill when the user needs to build Bayesian statistical models: prior selection, posterior sampling with MCMC (NUTS), convergence diagnostics, posterior predictive checks, LOO-CV model comparison, hierarchical models, and Bayesian A/B testing. Covers PyMC 5.x and ArviZ.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

DoWhy and CausalML toolkit for causal DAG construction, effect identification, ATE estimation, propensity score matching, and refutation testing.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for graph construction, centrality measures (betweenness, PageRank), community detection (Louvain), and random graph models via networkx.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for SVD, PCA, eigendecomposition, Cholesky, iterative solvers, sparse matrix formats, and condition number analysis with numpy and scipy.

xjtulyc/awesome-rosetta-skills

Skill Claude CodeCodex

Use this Skill for operations research and optimization: LP/QP/MILP with cvxpy and OR-Tools, convex relaxation, sensitivity analysis, and Gurobi/GLPK solver interface.