prckent

prckent's Stars

• ROCm/ROCm

  AMD ROCm™ Software - GitHub Home

  Language:Shell4.6k2142.4k381

• lammps/lammps

  Public development project of the LAMMPS MD software package

  Language:C++2.2k1171.1k1.7k

• idaholab/moose

  Multiphysics Object Oriented Simulation Environment

  Language:C++1.8k8612.4k1k

• mfem/mfem

  Lightweight, general, scalable C++ library for finite element methods

  Language:C++1.7k1252.2k497

• orlp/glidesort

  A Rust implementation of Glidesort, my stable adaptive quicksort/mergesort hybrid sorting algorithm.

  Language:Rust1.6k11923

• lcompilers/lpython

  Python compiler

  Language:C++1.5k341k163

• lfortran/lfortran

  Official main repository for LFortran

  Language:C++952242.5k154

• Geant4/geant4

  Geant4 toolkit for the simulation of the passage of particles through matter - NIM A 506 (2003) 250-303

  Language:C++608550310

• ReactionMechanismGenerator/RMG-Py

  Python version of the amazing Reaction Mechanism Generator (RMG).

  Language:Python395491.2k228

• deepqmc/deepqmc

  Deep learning quantum Monte Carlo for electrons in real space

  Language:Python352224760

• CHIP-SPV/chipStar

  chipStar is a tool for compiling and running HIP/CUDA on SPIR-V via OpenCL or Level Zero APIs.

  Language:C++2241043433

• project-gemmi/gemmi

  macromolecular crystallography library and utilities

  Language:C++2241718645

• beautiful-atoms/beautiful-atoms

  Python module for drawing and rendering beautiful atoms and molecules using Blender.

  Language:Python14038224

• molmod/psiflow

  scalable molecular simulation

  Language:Python1216317

• peterbjorgensen/DeepDFT

  Official implementation of DeepDFT model

  Language:Python58158

• cagrikymk/JAX-ReaxFF

  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

  Language:Python5761923

• JoonhoLee-Group/ipie

  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

  Language:Python53811827

• bytedance/jaqmc

  JAX accelerated Quantum Monte Carlo

  Language:Python45528

• SmoQySuite/SmoQyDQMC.jl

  Package for performing DQMC simulations of Hubbard and Electron-Phonon Models

  Language:Julia34133

• sissaschool/turborvb

  Quantum Monte Carlo package, TurboRVB

  Language:Fortran297396

• QMC-Cornell/shci

  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)

  Language:C++2410712

• filippi-claudia/champ

  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.

  Language:C1891007

• NERSC/openmp-series-2024

  OpenMP Training Series, May to October 2024

  Language:C1614214

• x2dhf/x2dhf

  Two-Dimensional Finite Difference Hartree-Fock Program

  Language:Fortran1341411

• maierta/MRPAPP

  The MRPA++ computer code simulates neutron scattering and superconductivity in correlated electron systems. It uses a random-phase approximation (RPA) / Bardeen-Cooper-Schrieffer (BCS) theory to predict the neutron scattering cross section of realistic multi-orbital tight-binding models with Hubbard-like electron-electron interactions for the normal and superconducting states. It can also be used to calculate the pairing interaction in these models using an RPA approximation and to predict the superconducting gap structure.

  Language:C++8417

• xsligroup/chronusq_public

  The public repository of the Chronus Quantum (ChronusQ) Software Package

  Language:C++8223

• amddcgpuce/rocmtechsupport

  Utilities for ROCm Tech Support Log Collections

  Language:Shell7424

• dhesse/py-uwerr

  Python implementation of Monte Carlo error analysis a la Wolff.

  Language:Python7425

• QMCPACK/qmcpack_workshop_2023

  QMCPACK Users Workshop 2023

  Language:Python61702

• QMCPACK/scfrecipes

  Challenging inputs and recipes for self-consistent field codes

  Language:Roff41751