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    568 repositories

    • PYSEQM

      Public
      an interface to semi-empirical quantum chemistry methods implemented with pytorch
      Python
      •
      Other
      •20•72•3•0•Updated Jan 10, 2026Jan 10, 2026

    • qmd-progress

      Public
      PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
      hpcparallelmpi
      Fortran
      •
      Other
      •14•26•18•1•Updated Jan 10, 2026Jan 10, 2026

    • ursa

      Public
      Universal Research and Scientific Agent
      Python
      •
      Other
      •19•31•16•6•Updated Jan 10, 2026Jan 10, 2026

    • scico

      Public
      Scientific Computational Imaging COde
      optimizationadmmproximal-algorithmsproximal-operatorsinverse-problemsconvex-optimizationcomputational-imagingfistatotal-variationjax
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •21•146•21•2•Updated Jan 9, 2026Jan 9, 2026

    • latte_traveltime

      Public
      LATTE: Los Alamos TravelTime package based on Eikonal equation
      Fortran
      •
      Other
      •3•10•1•0•Updated Jan 9, 2026Jan 9, 2026

    • dsi

      Public
      LANL Data Science Infrastructure Project
      Python
      •8•10•18•2•Updated Jan 9, 2026Jan 9, 2026

    • BEE

      Public
      Python
      •
      Other
      •3•20•156•7•Updated Jan 9, 2026Jan 9, 2026

    • PLEIADES

      Public
      PLEIADES: Python Library Extensions for Isotopic Analysis via Detailed Examination of SAMMY results
      Python
      •
      Other
      •5•4•35•2•Updated Jan 9, 2026Jan 9, 2026

    • sequedex-core

      Public
      For more information see https://sequedex.readthedocs.io/en/latest/. This documentation was written for version 1 and needs to be updated. The updates are primarily additions rather than changes to what is already written.
      genome-analysisbioinformatics-analysismetagenomic-analysis
      Java
      •
      Other
      •1•1•0•0•Updated Jan 9, 2026Jan 9, 2026

    • kitsune

      Public
      LANL LLVM Fork
      LLVM
      •
      Other
      •16k•20•0•2•Updated Jan 8, 2026Jan 8, 2026

    • MATAR

      Public
      MATAR is a C++ software library to allow developers to easily create and use dense and sparse data representations that are also portable across disparate architectures using Kokkos.
      performancekokkosportabilitydata-oriented
      C++
      •15•34•6•1•Updated Jan 8, 2026Jan 8, 2026

    • NGEE-Arctic-E3SM

      Public
      Energy Exascale Earth System Model source code.
      Fortran
      •
      Other
      •453•1•0•0•Updated Jan 8, 2026Jan 8, 2026

    • lunus

      Public
      C
      •
      Other
      •5•0•2•0•Updated Jan 8, 2026Jan 8, 2026

    • hippynn

      Public
      python library for atomistic machine learning
      machine-learninglibraryatomistic-modelsgraph-neural-networksatomistic-machine-learninginteratomic-potentials
      Python
      •
      Other
      •34•89•8•5•Updated Jan 7, 2026Jan 7, 2026

    • TSEUQLib

      Public
      TSEUQLib (Taylor Series Expansion Uncertainty Quantification Library): Conduct UQ and sensitivity analysis with the Taylor series expansion surrogate model.
      Python
      •
      Other
      •0•0•0•0•Updated Jan 7, 2026Jan 7, 2026

    • vpic-kokkos

      Public
      Kokkos port of VPIC
      C++
      •16•56•17•7•Updated Jan 7, 2026Jan 7, 2026

    • artemis

      Public
      Astrophysical multifluid radiation hydrodynamics code
      C++
      •
      Other
      •12•36•7•8•Updated Jan 7, 2026Jan 7, 2026

    • HERMES

      Public
      HERMES: High-speed Event Retrieval and Management for Enhanced Spectral neutron imaging with TPX3Cams
      Python
      •
      Other
      •0•2•3•0•Updated Jan 6, 2026Jan 6, 2026

    • ldrd_virus_work

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•9•2•Updated Jan 6, 2026Jan 6, 2026

    • hymera

      Public
      Hymera: Hybrid MHD-kinetic code for relativistic particles
      C
      •
      Other
      •2•1•0•1•Updated Jan 6, 2026Jan 6, 2026

    • ShenCFD

      Public
      ShenCFD is a fast pseudospectral solver for fluid dynamics written to be maximally Pythonic and maximally useful for machine-learning-based turbulence model discovery.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jan 6, 2026Jan 6, 2026

    • ldrd_neat_ml_images

      Public
      Image File Asset Storage for: LDRD_NEAT_ML (LANL copyright assertion ID: O# (O4909))
      0•0•0•0•Updated Jan 6, 2026Jan 6, 2026

    • ldrd_neat_ml

      Public
      Python
      •3•1•7•5•Updated Jan 4, 2026Jan 4, 2026

    • FEHM

      Public
      Finite Element Heat and Mass Transfer Code
      earth-sciencesimulation-modelinggroundwater-modellingporous-flowreactive-chemistrycoupled-heat-massmultiphase-transportcarbon-storagesoil-vaporcarbon-sequestration
      GLSL
      •
      Other
      •21•62•35•3•Updated Jan 4, 2026Jan 4, 2026

    • 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•23•1•3•Updated Dec 31, 2025Dec 31, 2025

    • PDEHats

      Public
      Using influence functions to investigate generalization capabilities of neural networks.
      Julia
      •0•0•0•0•Updated Dec 29, 2025Dec 29, 2025

    • LBM3RT

      Public
      Lattice Boltzmann Methods for Multiphase Multicomponent Reactive Transport
      Fortran
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 25, 2025Dec 25, 2025

    • j3d

      Public
      C library for polyhedral intersections.
      C++
      •
      Other
      •0•2•0•0•Updated Dec 24, 2025Dec 24, 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 24, 2025Dec 24, 2025

    • branson

      Public
      A Monte Carlo transport mini-app for studying new parallel algorithms
      C++
      •
      Other
      •23•18•1•2•Updated Dec 24, 2025Dec 24, 2025