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    561 repositories

    • PLEIADES

      Public
      PLEIADES: Python Library Extensions for Isotopic Analysis via Detailed Examination of SAMMY results
      Python
      •
      Other
      •5•4•36•1•Updated Dec 7, 2025Dec 7, 2025

    • hymera

      Public
      Hymera: Hybrid MHD-kinetic code for relativistic particles
      C
      •
      Other
      •1•1•0•1•Updated Dec 7, 2025Dec 7, 2025

    • PYSEQM

      Public
      an interface to semi-empirical quantum chemistry methods implemented with pytorch
      Python
      •
      Other
      •20•70•3•0•Updated Dec 6, 2025Dec 6, 2025

    • dsi

      Public
      LANL Data Science Infrastructure Project
      Python
      •8•10•17•3•Updated Dec 6, 2025Dec 6, 2025

    • ursa

      Public
      Universal Research and Scientific Agent
      Python
      •
      Other
      •16•30•16•2•Updated Dec 6, 2025Dec 6, 2025

    • scico

      Public
      Scientific Computational Imaging COde
      optimizationadmmproximal-algorithmsproximal-operatorsinverse-problemsconvex-optimizationcomputational-imagingfistatotal-variationjax
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •21•144•24•1•Updated Dec 5, 2025Dec 5, 2025

    • scico-data

      Public
      Data for the scico project
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •4•14•0•1•Updated Dec 5, 2025Dec 5, 2025

    • BEE

      Public
      Python
      •
      Other
      •3•20•155•10•Updated Dec 5, 2025Dec 5, 2025

    • ELEMENTS

      Public
      The C++ ELEMENTS library contains a suite of sub-libraries to support mathematical functions (elements), data representations (MATAR), and novel mesh classes (geometry and SWAGE) to support a very broad range of element types, numerical methods, and mesh connectivity data structures useful for computational physics and engineering.
      computational-geometrynumerical-methodsfinite-element-methods
      C++
      •
      Other
      •15•22•1•3•Updated Dec 5, 2025Dec 5, 2025

    • Architector

      Public
      The architector python package - for 3D metal complex design. C22085
      molecular-structurescomputational-chemistrymolecular-simulationd-blockactinideslanthanidesrare-earth-elements
      Python
      •
      Other
      •17•73•3•1•Updated Dec 5, 2025Dec 5, 2025

    • HERMES

      Public
      HERMES: High-speed Event Retrieval and Management for Enhanced Spectral neutron imaging with TPX3Cams
      Python
      •
      Other
      •0•2•3•0•Updated Dec 5, 2025Dec 5, 2025

    • kitsune

      Public
      LANL LLVM Fork
      LLVM
      •
      Other
      •15k•20•0•3•Updated Dec 5, 2025Dec 5, 2025

    • singularity-eos

      Public
      Performance portable equations of state and mixed cell closures
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •19•34•83•11•Updated Dec 4, 2025Dec 4, 2025

    • OpenMS

      Public
      OpenMS is a collection of multiscale solvers for coupled Maxwell-Schrödinger equations in Open quantum environments.
      fdtdquantum-chemistryqmcquantum-many-bodynonadiabatic-dynamicsopen-quantum-systemqed-coupled-cluster
      Python
      •
      Other
      •5•9•0•0•Updated Dec 4, 2025Dec 4, 2025

    • artemis

      Public
      Astrophysical multifluid radiation hydrodynamics code
      C++
      •
      Other
      •12•34•7•6•Updated Dec 4, 2025Dec 4, 2025

    • PyBNF

      Public
      An application for parameterization of biological models available in SBML and BNGL formats. Features include parallelization, metaheuristic optimization algorithms, and an adaptive Markov chain Monte Carlo (MCMC) sampling algorithm.
      Python
      •
      Other
      •19•24•46•2•Updated Dec 4, 2025Dec 4, 2025

    • ldrd_neat_ml

      Public
      Python
      •3•1•7•4•Updated Dec 4, 2025Dec 4, 2025

    • CalyxFlow

      Public
      CalyxFlow is a lightweight agentic artificial intelligent workflow. This workflow demonstrates the use of AI LLMs to generate modeling and simulation inputs for a scientific simulation and manage execution and analysis of a suite of simulations.
      Other
      •0•0•0•0•Updated Dec 4, 2025Dec 4, 2025

    • vpic-kokkos

      Public
      Kokkos port of VPIC
      C++
      •15•56•16•7•Updated Dec 4, 2025Dec 4, 2025

    • OntoVis

      Public
      Using Ontologies and Knowledge to ground visualization of scientific data
      Other
      •0•1•0•0•Updated Dec 3, 2025Dec 3, 2025

    • NGEE-Arctic-E3SM

      Public
      Energy Exascale Earth System Model source code.
      Fortran
      •
      Other
      •448•1•0•0•Updated Dec 3, 2025Dec 3, 2025

    • impala

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •2•10•2•1•Updated Dec 3, 2025Dec 3, 2025

    • PyPTkinetics

      Public
      This basic research code computes the time-dependent phase transition between two solid crystalline phases under dynamic conditions.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•2•0•0•Updated Dec 3, 2025Dec 3, 2025

    • VisLang

      Public
      DSL for visualization operations
      Other
      •0•1•0•0•Updated Dec 3, 2025Dec 3, 2025

    • dfnWorks

      Public
      dfnWorks is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. If you download the software please fill out our interest form to stay up to date on releases https://goo.gl/forms/VE39oKsyp4LVC6Gj2 and join our google group https://groups.google.com/d/forum/dfnworks-users
      transportsimulation-enginefracturessubsurface-flow
      Python
      •
      Other
      •51•89•23•1•Updated Dec 3, 2025Dec 3, 2025

    • MORPH

      Public
      MORPH: Shape-agnostic PDE Foundation Models
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •2•16•0•0•Updated Dec 3, 2025Dec 3, 2025

    • augselfies

      Public
      Augmentation for the SELFIES chemical encoding syntax
      Python
      •
      MIT License
      •0•0•0•0•Updated Dec 2, 2025Dec 2, 2025

    • FastBNNs

      Public
      Python
      •
      Other
      •0•1•0•0•Updated Dec 2, 2025Dec 2, 2025

    • ibex-bayesian-inverse

      Public
      Code solving the inverse problem in a Bayesian framework for IBEX satellite data and simulator output
      R
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 2, 2025Dec 2, 2025

    • precog

      Public
      Program Repository for Tools for Analyzing Infectious Disease Sequence Data and Forecasting Public Health Outcomes
      R
      •1•3•0•0•Updated Dec 2, 2025Dec 2, 2025