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    548 repositories

    • lunus

      Public
      C
      •
      Other
      •5•0•2•0•Updated Nov 1, 2025Nov 1, 2025

    • artemis

      Public
      Astrophysical multifluid radiation hydrodynamics code
      C++
      •
      Other
      •12•34•6•10•Updated Nov 1, 2025Nov 1, 2025

    • rummy

      Public
      A flexible parser for compiled input decks
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Nov 1, 2025Nov 1, 2025

    • latte_traveltime

      Public
      LATTE: Los Alamos TravelTime package based on Eikonal equation
      Fortran
      •
      Other
      •3•10•1•0•Updated Oct 31, 2025Oct 31, 2025

    • Nautilus

      Public
      A collection of useful utilities for simulating nuclear reactions and related applications.
      C++
      •
      Other
      •0•0•0•0•Updated Oct 31, 2025Oct 31, 2025

    • 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++
      •14•31•6•1•Updated Oct 31, 2025Oct 31, 2025

    • ursa

      Public
      Universal Research and Scientific Agent
      Python
      •
      Other
      •14•21•7•4•Updated Oct 31, 2025Oct 31, 2025

    • singularity-eos

      Public
      Performance portable equations of state and mixed cell closures
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •19•33•83•9•Updated Oct 31, 2025Oct 31, 2025

    • ports-of-call

      Public
      Performance Portability Utilities
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •2•6•11•1•Updated Oct 31, 2025Oct 31, 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•86•23•2•Updated Oct 31, 2025Oct 31, 2025

    • sedacs

      Public
      O4732 SEDACS Scalable Ecosystem, Driver, and Analyzer for Complex Chemistry Simulations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•8•5•1•Updated Oct 31, 2025Oct 31, 2025

    • PYSEQM

      Public
      an interface to semi-empirical quantum chemistry methods implemented with pytorch
      Python
      •
      Other
      •19•68•3•0•Updated Oct 31, 2025Oct 31, 2025

    • JuliQAOA.jl

      Public
      A fast, flexible package for simulating the Quantum Alternating Operator Ansatz
      Julia
      •
      Other
      •4•19•2•0•Updated Oct 30, 2025Oct 30, 2025

    • BEE

      Public
      Python
      •
      Other
      •3•20•158•9•Updated Oct 30, 2025Oct 30, 2025

    • FastBNNs

      Public
      Python
      •
      Other
      •0•1•0•0•Updated Oct 30, 2025Oct 30, 2025

    • dsi

      Public
      LANL Data Science Infrastructure Project
      Python
      •7•9•17•2•Updated Oct 30, 2025Oct 30, 2025

    • Yoke

      Public
      System for prototyping, training, and testing of deep ML models
      Python
      •
      Other
      •14•8•17•9•Updated Oct 30, 2025Oct 30, 2025

    • hippynn

      Public
      python library for atomistic machine learning
      machine-learninglibraryatomistic-modelsgraph-neural-networksatomistic-machine-learninginteratomic-potentials
      Python
      •
      Other
      •34•89•8•5•Updated Oct 30, 2025Oct 30, 2025

    • FEHM

      Public
      Finite Element Heat and Mass Transfer Code
      earth-sciencesimulation-modelinggroundwater-modellingporous-flowreactive-chemistrycoupled-heat-massmultiphase-transportcarbon-storagesoil-vaporcarbon-sequestration
      GLSL
      •
      Other
      •20•60•34•3•Updated Oct 30, 2025Oct 30, 2025

    • MORPH

      Public
      MORPH: Shape-agnostic PDE Foundation Models
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •2•13•0•0•Updated Oct 29, 2025Oct 29, 2025

    • binding_prediction

      Public
      Model for predicting binding enthalpies of small molecules.
      Python
      •
      Other
      •0•0•0•0•Updated Oct 29, 2025Oct 29, 2025

    • HERMES

      Public
      HERMES: High-speed Event Retrieval and Management for Enhanced Spectral neutron imaging with TPX3Cams
      Python
      •
      Other
      •0•2•3•0•Updated Oct 29, 2025Oct 29, 2025

    • mcts_materials

      Public
      A Monte Carlo Tree Search (MCTS) implementation for discovering and optimizing stable intermetallic crystal structures containing uranium and f-block elements by iteratively exploring chemical space guided by formation energies and thermodynamic stability metrics from MACE energy calculations.
      Python
      •0•1•0•0•Updated Oct 29, 2025Oct 29, 2025

    • qmd-progress

      Public
      PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
      hpcparallelmpi
      Fortran
      •
      Other
      •14•26•18•1•Updated Oct 29, 2025Oct 29, 2025

    • thor

      Public
      The THOR Project (Tensors for High-dimensional Object Representations)
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •14•98•0•0•Updated Oct 28, 2025Oct 28, 2025

    • scico

      Public
      Scientific Computational Imaging COde
      optimizationadmmproximal-algorithmsproximal-operatorsinverse-problemsconvex-optimizationcomputational-imagingfistatotal-variationjax
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •21•142•24•0•Updated Oct 28, 2025Oct 28, 2025

    • PLEIADES

      Public
      PLEIADES: Python Library Extensions for Isotopic Analysis via Detailed Examination of SAMMY results
      Python
      •
      Other
      •5•4•9•0•Updated Oct 28, 2025Oct 28, 2025

    • dapper

      Public
      Mirror of https://github.com/NGEE-Arctic/dapper
      Python
      •
      Other
      •0•0•0•0•Updated Oct 28, 2025Oct 28, 2025

    • halo

      Public
      HALO (formerly GoLustre) - Lustre HA and Cluster Management System
      Rust
      •
      Other
      •2•0•3•0•Updated Oct 28, 2025Oct 28, 2025

    • ldrd_neat_ml

      Public
      Python
      •3•1•5•5•Updated Oct 28, 2025Oct 28, 2025