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    481 repositories

    • qmd-progress

      Public
      PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
      hpcparallelmpi
      Fortran
      •
      Other
      •13•20•18•3•Updated Dec 26, 2024Dec 26, 2024

    • spiner

      Public
      Performance portable routines for generic, tabulated, multi-dimensional data
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •3•7•8•4•Updated Dec 25, 2024Dec 25, 2024

    • scico

      Public
      Scientific Computational Imaging COde
      optimizationadmmproximal-algorithmsproximal-operatorsinverse-problemsconvex-optimizationcomputational-imagingfistatotal-variationjax
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •17•110•22•0•Updated Dec 25, 2024Dec 25, 2024

    • singularity-eos

      Public
      Performance portable equations of state and mixed cell closures
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •9•28•67•9•Updated Dec 25, 2024Dec 25, 2024

    • ports-of-call

      Public
      Performance Portability Utilities
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •1•5•9•1•Updated Dec 24, 2024Dec 24, 2024

    • BEE

      Public
      Python
      •
      Other
      •3•17•129•9•Updated Dec 24, 2024Dec 24, 2024

    • Fierro

      Public
      Fierro is a C++ code designed to aid the research and development of numerical methods, testing of user-specified models, and creating multi-scale models related to quasi-static solid mechanics and compressible material dynamics using low- and high-order meshes.
      engineeringparallel-computingcomputational-mechanicsmaterial-sciencetopology-optimizationshock-capturingfinite-element-methodslagrangiancrystal-plasticitylagrangian-mechanics
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •16•38•16•9•Updated Dec 24, 2024Dec 24, 2024

    • bml

      Public
      The Basic Matrix Library (bml)
      C
      •
      Other
      •19•39•0•11•Updated Dec 24, 2024Dec 24, 2024

    • NEONiso

      Public
      R package for calibrating NEON atmospheric isotope data
      R
      •
      GNU General Public License v3.0
      •2•2•11•0•Updated Dec 24, 2024Dec 24, 2024

    • artemis

      Public
      Astrophysical multifluid radiation hydrodynamics code
      C++
      •
      Other
      •8•16•0•4•Updated Dec 23, 2024Dec 23, 2024

    • jaybenne

      Public
      Monte Carlo thermal radiation transport code
      C++
      •
      Other
      •1•6•0•3•Updated Dec 23, 2024Dec 23, 2024

    • PLEIADES

      Public
      PLEIADES: Python Library Extensions for Isotopic Analysis via Detailed Examination of SAMMY results
      Python
      •
      Other
      •3•3•3•1•Updated Dec 23, 2024Dec 23, 2024

    • nubhlight

      Public
      General Relativistic Neutrino Radiation Magnetohydrodynamics for Neutron Star Merger Disks
      C
      •
      Other
      •6•31•5•4•Updated Dec 23, 2024Dec 23, 2024

    • deboinr

      Public
      Boxplots for PDF ensembles.
      R
      •
      Other
      •0•0•0•0•Updated Dec 23, 2024Dec 23, 2024

    • PYSEQM

      Public
      an interface to semi-empirical quantum chemistry methods implemented with pytorch
      Python
      •
      Other
      •18•45•2•0•Updated Dec 21, 2024Dec 21, 2024

    • ecopop

      Public
      Creating scaling units to bridge ESM and "local" scale models
      Python
      •
      Other
      •0•5•1•0•Updated Dec 21, 2024Dec 21, 2024

    • BIORAD

      Public
      Machine learning prediction of protein-protein binding affinity
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 20, 2024Dec 20, 2024

    • 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
      •46•78•23•0•Updated Dec 20, 2024Dec 20, 2024

    • Nautilus

      Public
      A collection of useful utilities for simulating nuclear reactions and related applications.
      CMake
      •
      Other
      •0•0•0•0•Updated Dec 19, 2024Dec 19, 2024

    • dsi

      Public
      LANL Data Science Infrastructure Project
      Python
      •4•5•28•3•Updated Dec 19, 2024Dec 19, 2024

    • LOTUS

      Public
      Code associated with automated culling process for distinguishing between heliospheric ENA particles and incidental background particles detected by NASA's IBEX satelite. This method is described in Stricklin et al. (2024).
      R
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Dec 19, 2024Dec 19, 2024

    • Architector

      Public
      The architector python package - for 3D metal complex design. C22085
      molecular-structurescomputational-chemistrymolecular-simulationd-blockactinideslanthanidesrare-earth-elements
      Python
      •
      Other
      •6•41•2•1•Updated Dec 19, 2024Dec 19, 2024

    • 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++
      •12•26•7•0•Updated Dec 19, 2024Dec 19, 2024

    • SuperNu

      Public
      SuperNu, Version 4.x
      Fortran
      •
      GNU General Public License v3.0
      •3•4•4•1•Updated Dec 18, 2024Dec 18, 2024

    • Seer

      Public
      An Insitu lightweight wrapper library
      C++
      •
      Other
      •1•0•0•0•Updated Dec 17, 2024Dec 17, 2024

    • PPT

      Public
      Performance Prediction Toolkit
      Python
      •13•51•1•0•Updated Dec 17, 2024Dec 17, 2024

    • latte_traveltime

      Public
      LATTE: Los Alamos TravelTime package based on Eikonal equation
      Fortran
      •
      Other
      •0•4•0•0•Updated Dec 16, 2024Dec 16, 2024

    • flit

      Public
      FLIT: A Generic Fortran Library based on Interfaces and Templates
      Fortran
      •
      BSD 3-Clause "New" or "Revised" License
      •1•4•0•0•Updated Dec 16, 2024Dec 16, 2024

    • BiGEST

      Public
      0•0•0•0•Updated Dec 16, 2024Dec 16, 2024

    • Library-AI-Toolset

      Public
      Java
      •
      Other
      •0•0•0•0•Updated Dec 13, 2024Dec 13, 2024