Built-in Supported Scientific Packages¶
Last curated update:
2026-03-14 17:20:27 ESTTotal built-in packages:
167
Package ID |
Title |
Repository |
|---|---|---|
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ABINIT Electronic-Structure Suite |
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ACTS Common Tracking Software |
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AiiDA Core Workflow Engine |
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ALAMODE Lattice Thermal Transport |
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AMUSE Astrophysical Simulation Environment |
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AnnData Annotated Data Matrices |
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Arbor Neural Simulation Library |
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ARC Alkali Rydberg Calculator |
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Astropy Astronomy Core Library |
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Astroquery Astronomical Data Access |
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Atomate2 Materials Workflow Library |
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atomSmltr Laser Cooling and Trapping Simulator |
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Awkward Array |
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BATMAN Exoplanet Transit Light-Curve Modeler |
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Biopython |
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Bloqade Neutral Atom Quantum SDK |
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Brian2 Spiking Neural Network Simulator |
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Bullet Physics SDK (bullet3) |
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CalculiX Finite Element Program |
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Cantera Chemical Kinetics and Combustion |
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CavMD: Cavity Molecular Dynamics |
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CCDProc CCD Image Reduction |
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celerite2 Gaussian Process Toolkit |
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CellRank Single-Cell Fate Mapping |
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CESM (Community Earth System Model) |
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Chemicals Thermophysical Data Library |
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ChemPy Chemical Modeling Toolkit |
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Cirq Quantum Circuit Framework |
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Coffea Collider HEP Analysis Framework |
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CP2K Quantum Chemistry Suite |
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Custodian JIT Simulation Job Manager |
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DART Robotics Dynamics Engine |
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Datamol Molecular Processing Toolkit |
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DD4hep Detector Description Toolkit |
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deal.II Finite Element Library |
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DeepChem Molecular Machine Learning Toolkit |
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Delphes Fast Collider Simulation |
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Devito Stencil Compiler |
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DFT-D4 Dispersion Correction |
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DFTK.jl Density-Functional Toolkit |
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DOLFINx |
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Drake Robotics Toolkit |
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DuMux Porous Media Simulator |
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Elk All-Electron DFT Code |
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Elmer FEM |
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Enzo-E Exascale Astrophysics Simulator |
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ESPResSo Soft-Matter Molecular Dynamics |
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exoplanet Bayesian Exoplanet Inference Toolkit |
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FairRoot Particle Physics Framework |
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FBPIC Spectral Quasi-3D PIC |
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Modified Meep FDTD Electromagnetics Simulator for FDTD-Bath approach of condensed-phase polaritonics |
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Geant4 Particle-Matter Simulation Toolkit |
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gprMax Ground Penetrating Radar Simulator |
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GROMACS Molecular Dynamics |
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GWASLab Summary Statistics Toolkit |
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Gazebo Sim (gz-sim) |
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Hail Genomics Analytics |
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hiphive Force-Constant Modeling |
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HOOMD-blue Particle Simulation |
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ITensor Tensor Network Library |
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ITensors.jl Tensor Network Library |
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JDFTx |
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Jobflow Computational Workflow Library |
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KadanoffBaym.jl |
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KITE Quantum Transport Suite |
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Kratos Multiphysics |
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Kwant Quantum Transport Toolkit |
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LAMMPS Molecular Dynamics |
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Lightkurve Kepler and TESS Light-Curve Analysis |
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LIMIX Genomic Linear Mixed Models |
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MaxwellLink Light-Matter Co-Simulation |
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MC/DC Neutron Transport |
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Meep Electromagnetic FDTD Simulator |
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MFEM Finite Element Library |
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MIT General Circulation Model (MITgcm) |
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MODFLOW 6 Groundwater Model |
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MoleCool Molecular Laser Cooling Simulator |
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MOM6 Modular Ocean Model |
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MOOSE Multiphysics Framework |
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MPAS Model for Prediction Across Scales |
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MuJoCo Physics Simulator |
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MuMax3 Micromagnetic Simulator |
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nekRS CFD Solver |
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NESSi Non-Equilibrium Systems Simulation |
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NEST Spiking Neural Network Simulator |
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NetKet Quantum Many-Body ML |
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NEURON Neural Simulator |
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Nextflow Scientific Workflow Engine |
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NWChem Computational Chemistry |
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Open Babel |
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openEMS Electromagnetic Solver |
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Open Force Field Toolkit |
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OpenFOAM-dev CFD Platform |
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OpenMC Monte Carlo Particle Transport |
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OpenMM Molecular Dynamics Toolkit |
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OpenMOC Reactor Physics Solver |
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OpenMX Materials DFT Package |
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OpenSees Earthquake Engineering Simulator |
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OpenSn Linear Boltzmann Solver |
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OPM Flow Reservoir Simulator |
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OQuPy |
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Packmol Molecular Configuration Builder |
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Palabos Lattice Boltzmann CFD |
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ParFlow Watershed Flow Model |
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PennyLane |
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Perceval Photonic Quantum Toolkit |
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Phono3py |
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Phonopy Phonon Lattice Dynamics |
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Photutils Astronomical Photometry Toolkit |
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PIConGPU |
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PLINK 2 Genome Association Toolkit |
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preCICE Coupling Library |
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PSC Particle-in-Cell Plasma Simulator |
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Psi4 Quantum Chemistry |
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Pybinding Tight Binding Toolkit |
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PyFR High-Order CFD Solver |
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pyhf HistFactory Inference Toolkit |
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pyiron Base Workflow Core |
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PyLCP Laser Cooling Physics |
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PyLith Tectonic Deformation Simulator |
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Pynbody Astrophysical Simulation Analysis |
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Pysam Genomics I/O |
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PySCF Quantum Chemistry |
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Quantum ESPRESSO |
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Qibo Quantum Simulation and Control |
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Qiskit Quantum SDK |
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Quantica.jl Lattice Quantum Systems |
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QuantumOptics.jl Quantum Dynamics Simulator |
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Quimb Quantum Tensor Networks |
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Qulacs Quantum Circuit Simulator |
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QuTiP Quantum Toolbox |
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RDKit Cheminformatics Toolkit |
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RMG-Py Reaction Mechanism Generator |
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CERN ROOT Data Analysis Framework |
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Scanpy Single-Cell Toolkit |
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scikit-allel Population Genetics |
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scikit-bio Bioinformatics Library |
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scqubits superconducting qubit simulator |
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SCUFF-EM Electromagnetic BEM Suite |
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scvi-tools Single-Cell Probabilistic Modeling |
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SeisSol Earthquake Wave Simulator |
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SfePy Finite Element PDE Solver |
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sisl Electronic Structure Toolkit |
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Smilei Plasma PIC Simulator |
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Snakemake Workflow Manager |
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SPECFEM3D Globe |
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Specutils Astronomical Spectroscopy |
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Spglib Crystal Symmetry Toolkit |
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Squidpy Spatial Omics Analysis |
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starry stellar and exoplanet mapper |
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Strawberry Fields Continuous-Variable Quantum Toolkit |
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SU2 Open-Source CFD Suite |
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Sunny.jl Magnetic Materials Modeling |
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SW4 Seismic Waves Solver |
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SWIFT Astrophysical Simulation Engine |
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TDNEGF Hybrid Quantum Transport |
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TeNPy Tensor Network Python |
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Thermo Chemical Engineering Thermodynamics |
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Tkwant Time-Dependent Quantum Transport |
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The Virtual Brain Core |
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Uproot5 ROOT I/O |
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VAMPIRE Atomistic Spin Dynamics Simulator |
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WannierTools Topological Materials Toolkit |
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WarpX PIC Plasma Simulator |
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WRF Weather Forecasting Model |
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xTB Extended Tight-Binding Quantum Chemistry |
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yt Volumetric Simulation Analysis |