:orphan: Built-in Supported Scientific Packages ====================================== - Last curated update: ``2026-03-14 17:20:27 EST`` - Total built-in packages: ``167`` .. list-table:: Built-in package catalog :header-rows: 1 :widths: 18 52 30 * - Package ID - Title - Repository * - ``abinit`` - ABINIT Electronic-Structure Suite - `skilled-scipkg/abinit `_ * - ``acts`` - ACTS Common Tracking Software - `skilled-scipkg/acts `_ * - ``aiida-core`` - AiiDA Core Workflow Engine - `skilled-scipkg/aiida-core `_ * - ``alamode`` - ALAMODE Lattice Thermal Transport - `skilled-scipkg/ALAMODE `_ * - ``amuse`` - AMUSE Astrophysical Simulation Environment - `skilled-scipkg/amuse `_ * - ``anndata`` - AnnData Annotated Data Matrices - `skilled-scipkg/anndata `_ * - ``arbor`` - Arbor Neural Simulation Library - `skilled-scipkg/arbor `_ * - ``arc`` - ARC Alkali Rydberg Calculator - `skilled-scipkg/ARC-Alkali-Rydberg-Calculator `_ * - ``astropy`` - Astropy Astronomy Core Library - `skilled-scipkg/astropy `_ * - ``astroquery`` - Astroquery Astronomical Data Access - `skilled-scipkg/astroquery `_ * - ``atomate2`` - Atomate2 Materials Workflow Library - `skilled-scipkg/atomate2 `_ * - ``atomsmltr`` - atomSmltr Laser Cooling and Trapping Simulator - `skilled-scipkg/atomSmltr `_ * - ``awkward`` - Awkward Array - `skilled-scipkg/awkward `_ * - ``batman`` - BATMAN Exoplanet Transit Light-Curve Modeler - `skilled-scipkg/batman `_ * - ``biopython`` - Biopython - `skilled-scipkg/biopython `_ * - ``bloqade`` - Bloqade Neutral Atom Quantum SDK - `skilled-scipkg/bloqade `_ * - ``brian2`` - Brian2 Spiking Neural Network Simulator - `skilled-scipkg/brian2 `_ * - ``bullet3`` - Bullet Physics SDK (bullet3) - `skilled-scipkg/bullet3 `_ * - ``calculix`` - CalculiX Finite Element Program - `skilled-scipkg/CalculiX `_ * - ``cantera`` - Cantera Chemical Kinetics and Combustion - `skilled-scipkg/cantera `_ * - ``cavity-md-ipi`` - CavMD: Cavity Molecular Dynamics - `skilled-scipkg/cavity-md-ipi `_ * - ``ccdproc`` - CCDProc CCD Image Reduction - `skilled-scipkg/ccdproc `_ * - ``celerite2`` - celerite2 Gaussian Process Toolkit - `skilled-scipkg/celerite2 `_ * - ``cellrank`` - CellRank Single-Cell Fate Mapping - `skilled-scipkg/cellrank `_ * - ``cesm`` - CESM (Community Earth System Model) - `skilled-scipkg/CESM `_ * - ``chemicals`` - Chemicals Thermophysical Data Library - `skilled-scipkg/chemicals `_ * - ``chempy`` - ChemPy Chemical Modeling Toolkit - `skilled-scipkg/chempy `_ * - ``cirq`` - Cirq Quantum Circuit Framework - `skilled-scipkg/Cirq `_ * - ``coffea`` - Coffea Collider HEP Analysis Framework - `skilled-scipkg/coffea `_ * - ``cp2k`` - CP2K Quantum Chemistry Suite - `skilled-scipkg/cp2k `_ * - ``custodian`` - Custodian JIT Simulation Job Manager - `skilled-scipkg/custodian `_ * - ``dart`` - DART Robotics Dynamics Engine - `skilled-scipkg/dart `_ * - ``datamol`` - Datamol Molecular Processing Toolkit - `skilled-scipkg/datamol `_ * - ``dd4hep`` - DD4hep Detector Description Toolkit - `skilled-scipkg/DD4hep `_ * - ``dealii`` - deal.II Finite Element Library - `skilled-scipkg/dealii `_ * - ``deepchem`` - DeepChem Molecular Machine Learning Toolkit - `skilled-scipkg/deepchem `_ * - ``delphes`` - Delphes Fast Collider Simulation - `skilled-scipkg/delphes `_ * - ``devito`` - Devito Stencil Compiler - `skilled-scipkg/devito `_ * - ``dftd4`` - DFT-D4 Dispersion Correction - `skilled-scipkg/dftd4 `_ * - ``dftk-jl`` - DFTK.jl Density-Functional Toolkit - `skilled-scipkg/DFTK.jl `_ * - ``dolfinx`` - DOLFINx - `skilled-scipkg/dolfinx `_ * - ``drake`` - Drake Robotics Toolkit - `skilled-scipkg/drake `_ * - ``dumux`` - DuMux Porous Media Simulator - `skilled-scipkg/dumux `_ * - ``elk`` - Elk All-Electron DFT Code - `skilled-scipkg/elk `_ * - ``elmerfem`` - Elmer FEM - `skilled-scipkg/elmerfem `_ * - ``enzo-e`` - Enzo-E Exascale Astrophysics Simulator - `skilled-scipkg/enzo-e `_ * - ``espresso`` - ESPResSo Soft-Matter Molecular Dynamics - `skilled-scipkg/espresso `_ * - ``exoplanet`` - exoplanet Bayesian Exoplanet Inference Toolkit - `skilled-scipkg/exoplanet `_ * - ``fairroot`` - FairRoot Particle Physics Framework - `skilled-scipkg/FairRoot `_ * - ``fbpic`` - FBPIC Spectral Quasi-3D PIC - `skilled-scipkg/fbpic `_ * - ``fdtdbath-meep`` - Modified Meep FDTD Electromagnetics Simulator for FDTD-Bath approach of condensed-phase polaritonics - `skilled-scipkg/fdtdbath-meep `_ * - ``geant4`` - Geant4 Particle-Matter Simulation Toolkit - `skilled-scipkg/geant4 `_ * - ``gprmax`` - gprMax Ground Penetrating Radar Simulator - `skilled-scipkg/gprMax `_ * - ``gromacs`` - GROMACS Molecular Dynamics - `skilled-scipkg/gromacs `_ * - ``gwaslab`` - GWASLab Summary Statistics Toolkit - `skilled-scipkg/gwaslab `_ * - ``gz-sim`` - Gazebo Sim (gz-sim) - `skilled-scipkg/gz-sim `_ * - ``hail`` - Hail Genomics Analytics - `skilled-scipkg/hail `_ * - ``hiphive`` - hiphive Force-Constant Modeling - `skilled-scipkg/hiphive `_ * - ``hoomd-blue`` - HOOMD-blue Particle Simulation - `skilled-scipkg/hoomd-blue `_ * - ``itensor`` - ITensor Tensor Network Library - `skilled-scipkg/ITensor `_ * - ``itensors-jl`` - ITensors.jl Tensor Network Library - `skilled-scipkg/ITensors.jl `_ * - ``jdftx`` - JDFTx - `skilled-scipkg/jdftx `_ * - ``jobflow`` - Jobflow Computational Workflow Library - `skilled-scipkg/jobflow `_ * - ``kadanoffbaym-jl`` - KadanoffBaym.jl - `skilled-scipkg/KadanoffBaym.jl `_ * - ``kite`` - KITE Quantum Transport Suite - `skilled-scipkg/kite `_ * - ``kratos`` - Kratos Multiphysics - `skilled-scipkg/Kratos `_ * - ``kwant`` - Kwant Quantum Transport Toolkit - `skilled-scipkg/kwant `_ * - ``lammps`` - LAMMPS Molecular Dynamics - `skilled-scipkg/lammps `_ * - ``lightkurve`` - Lightkurve Kepler and TESS Light-Curve Analysis - `skilled-scipkg/lightkurve `_ * - ``limix`` - LIMIX Genomic Linear Mixed Models - `skilled-scipkg/limix `_ * - ``maxwelllink`` - MaxwellLink Light-Matter Co-Simulation - `skilled-scipkg/MaxwellLink `_ * - ``mcdc`` - MC/DC Neutron Transport - `skilled-scipkg/MCDC `_ * - ``meep`` - Meep Electromagnetic FDTD Simulator - `skilled-scipkg/meep `_ * - ``mfem`` - MFEM Finite Element Library - `skilled-scipkg/mfem `_ * - ``mitgcm`` - MIT General Circulation Model (MITgcm) - `skilled-scipkg/MITgcm `_ * - ``modflow6`` - MODFLOW 6 Groundwater Model - `skilled-scipkg/modflow6 `_ * - ``molecool`` - MoleCool Molecular Laser Cooling Simulator - `skilled-scipkg/MoleCool `_ * - ``mom6`` - MOM6 Modular Ocean Model - `skilled-scipkg/MOM6 `_ * - ``moose`` - MOOSE Multiphysics Framework - `skilled-scipkg/moose `_ * - ``mpas-model`` - MPAS Model for Prediction Across Scales - `skilled-scipkg/MPAS-Model `_ * - ``mujoco`` - MuJoCo Physics Simulator - `skilled-scipkg/mujoco `_ * - ``mumax3`` - MuMax3 Micromagnetic Simulator - `skilled-scipkg/3 `_ * - ``nekrs`` - nekRS CFD Solver - `skilled-scipkg/nekRS `_ * - ``nessi`` - NESSi Non-Equilibrium Systems Simulation - `skilled-scipkg/nessi `_ * - ``nest-simulator`` - NEST Spiking Neural Network Simulator - `skilled-scipkg/nest-simulator `_ * - ``netket`` - NetKet Quantum Many-Body ML - `skilled-scipkg/netket `_ * - ``neuron`` - NEURON Neural Simulator - `skilled-scipkg/nrn `_ * - ``nextflow`` - Nextflow Scientific Workflow Engine - `skilled-scipkg/nextflow `_ * - ``nwchem`` - NWChem Computational Chemistry - `skilled-scipkg/nwchem `_ * - ``openbabel`` - Open Babel - `skilled-scipkg/openbabel `_ * - ``openems`` - openEMS Electromagnetic Solver - `skilled-scipkg/openEMS `_ * - ``openff-toolkit`` - Open Force Field Toolkit - `skilled-scipkg/openff-toolkit `_ * - ``openfoam-dev`` - OpenFOAM-dev CFD Platform - `skilled-scipkg/OpenFOAM-dev `_ * - ``openmc`` - OpenMC Monte Carlo Particle Transport - `skilled-scipkg/openmc `_ * - ``openmm`` - OpenMM Molecular Dynamics Toolkit - `skilled-scipkg/openmm `_ * - ``openmoc`` - OpenMOC Reactor Physics Solver - `skilled-scipkg/OpenMOC `_ * - ``openmx`` - OpenMX Materials DFT Package - `skilled-scipkg/openmx `_ * - ``opensees`` - OpenSees Earthquake Engineering Simulator - `skilled-scipkg/OpenSees `_ * - ``opensn`` - OpenSn Linear Boltzmann Solver - `skilled-scipkg/opensn `_ * - ``opm-simulators`` - OPM Flow Reservoir Simulator - `skilled-scipkg/opm-simulators `_ * - ``oqupy`` - OQuPy - `skilled-scipkg/OQuPy `_ * - ``packmol`` - Packmol Molecular Configuration Builder - `skilled-scipkg/packmol `_ * - ``palabos`` - Palabos Lattice Boltzmann CFD - `skilled-scipkg/palabos `_ * - ``parflow`` - ParFlow Watershed Flow Model - `skilled-scipkg/parflow `_ * - ``pennylane`` - PennyLane - `skilled-scipkg/pennylane `_ * - ``perceval`` - Perceval Photonic Quantum Toolkit - `skilled-scipkg/Perceval `_ * - ``phono3py`` - Phono3py - `skilled-scipkg/phono3py `_ * - ``phonopy`` - Phonopy Phonon Lattice Dynamics - `skilled-scipkg/phonopy `_ * - ``photutils`` - Photutils Astronomical Photometry Toolkit - `skilled-scipkg/photutils `_ * - ``picongpu`` - PIConGPU - `skilled-scipkg/picongpu `_ * - ``plink-ng`` - PLINK 2 Genome Association Toolkit - `skilled-scipkg/plink-ng `_ * - ``precice`` - preCICE Coupling Library - `skilled-scipkg/precice `_ * - ``psc`` - PSC Particle-in-Cell Plasma Simulator - `skilled-scipkg/psc `_ * - ``psi4`` - Psi4 Quantum Chemistry - `skilled-scipkg/psi4 `_ * - ``pybinding`` - Pybinding Tight Binding Toolkit - `skilled-scipkg/pybinding `_ * - ``pyfr`` - PyFR High-Order CFD Solver - `skilled-scipkg/PyFR `_ * - ``pyhf`` - pyhf HistFactory Inference Toolkit - `skilled-scipkg/pyhf `_ * - ``pyiron_base`` - pyiron Base Workflow Core - `skilled-scipkg/pyiron_base `_ * - ``pylcp`` - PyLCP Laser Cooling Physics - `skilled-scipkg/pylcp `_ * - ``pylith`` - PyLith Tectonic Deformation Simulator - `skilled-scipkg/pylith `_ * - ``pynbody`` - Pynbody Astrophysical Simulation Analysis - `skilled-scipkg/pynbody `_ * - ``pysam`` - Pysam Genomics I/O - `skilled-scipkg/pysam `_ * - ``pyscf`` - PySCF Quantum Chemistry - `skilled-scipkg/pyscf `_ * - ``q-e`` - Quantum ESPRESSO - `skilled-scipkg/q-e `_ * - ``qibo`` - Qibo Quantum Simulation and Control - `skilled-scipkg/qibo `_ * - ``qiskit`` - Qiskit Quantum SDK - `skilled-scipkg/qiskit `_ * - ``quantica-jl`` - Quantica.jl Lattice Quantum Systems - `skilled-scipkg/Quantica.jl `_ * - ``quantumoptics-jl`` - QuantumOptics.jl Quantum Dynamics Simulator - `skilled-scipkg/QuantumOptics.jl `_ * - ``quimb`` - Quimb Quantum Tensor Networks - `skilled-scipkg/quimb `_ * - ``qulacs`` - Qulacs Quantum Circuit Simulator - `skilled-scipkg/qulacs `_ * - ``qutip`` - QuTiP Quantum Toolbox - `skilled-scipkg/qutip `_ * - ``rdkit`` - RDKit Cheminformatics Toolkit - `skilled-scipkg/rdkit `_ * - ``rmg-py`` - RMG-Py Reaction Mechanism Generator - `skilled-scipkg/RMG-Py `_ * - ``root`` - CERN ROOT Data Analysis Framework - `skilled-scipkg/root `_ * - ``scanpy`` - Scanpy Single-Cell Toolkit - `skilled-scipkg/scanpy `_ * - ``scikit-allel`` - scikit-allel Population Genetics - `skilled-scipkg/scikit-allel `_ * - ``scikit-bio`` - scikit-bio Bioinformatics Library - `skilled-scipkg/scikit-bio `_ * - ``scqubits`` - scqubits superconducting qubit simulator - `skilled-scipkg/scqubits `_ * - ``scuff-em`` - SCUFF-EM Electromagnetic BEM Suite - `skilled-scipkg/scuff-em `_ * - ``scvi-tools`` - scvi-tools Single-Cell Probabilistic Modeling - `skilled-scipkg/scvi-tools `_ * - ``seissol`` - SeisSol Earthquake Wave Simulator - `skilled-scipkg/SeisSol `_ * - ``sfepy`` - SfePy Finite Element PDE Solver - `skilled-scipkg/sfepy `_ * - ``sisl`` - sisl Electronic Structure Toolkit - `skilled-scipkg/sisl `_ * - ``smilei`` - Smilei Plasma PIC Simulator - `skilled-scipkg/Smilei `_ * - ``snakemake`` - Snakemake Workflow Manager - `skilled-scipkg/snakemake `_ * - ``specfem3d-globe`` - SPECFEM3D Globe - `skilled-scipkg/specfem3d_globe `_ * - ``specutils`` - Specutils Astronomical Spectroscopy - `skilled-scipkg/specutils `_ * - ``spglib`` - Spglib Crystal Symmetry Toolkit - `skilled-scipkg/spglib `_ * - ``squidpy`` - Squidpy Spatial Omics Analysis - `skilled-scipkg/squidpy `_ * - ``starry`` - starry stellar and exoplanet mapper - `skilled-scipkg/starry `_ * - ``strawberryfields`` - Strawberry Fields Continuous-Variable Quantum Toolkit - `skilled-scipkg/strawberryfields `_ * - ``su2`` - SU2 Open-Source CFD Suite - `skilled-scipkg/SU2 `_ * - ``sunny-jl`` - Sunny.jl Magnetic Materials Modeling - `skilled-scipkg/Sunny.jl `_ * - ``sw4`` - SW4 Seismic Waves Solver - `skilled-scipkg/sw4 `_ * - ``swift`` - SWIFT Astrophysical Simulation Engine - `skilled-scipkg/SWIFT `_ * - ``tdnegf`` - TDNEGF Hybrid Quantum Transport - `skilled-scipkg/TDNEGF `_ * - ``tenpy`` - TeNPy Tensor Network Python - `skilled-scipkg/tenpy `_ * - ``thermo`` - Thermo Chemical Engineering Thermodynamics - `skilled-scipkg/thermo `_ * - ``tkwant`` - Tkwant Time-Dependent Quantum Transport - `skilled-scipkg/tkwant `_ * - ``tvb-root`` - The Virtual Brain Core - `skilled-scipkg/tvb-root `_ * - ``uproot5`` - Uproot5 ROOT I/O - `skilled-scipkg/uproot5 `_ * - ``vampire`` - VAMPIRE Atomistic Spin Dynamics Simulator - `skilled-scipkg/vampire `_ * - ``wannier_tools`` - WannierTools Topological Materials Toolkit - `skilled-scipkg/wannier_tools `_ * - ``warpx`` - WarpX PIC Plasma Simulator - `skilled-scipkg/warpx `_ * - ``wrf`` - WRF Weather Forecasting Model - `skilled-scipkg/WRF `_ * - ``xtb`` - xTB Extended Tight-Binding Quantum Chemistry - `skilled-scipkg/xtb `_ * - ``yt`` - yt Volumetric Simulation Analysis - `skilled-scipkg/yt `_