Pinned Repositories
AutoDock-GPU
AutoDock for GPUs and other accelerators
blis
BLAS-like Library Instantiation Software Framework
blt
A streamlined CMake build system foundation for developing HPC software
camp
Compiler agnostic metaprogramming library providing concepts, type operations and tuples for C++ and cuda
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
cholla
A GPU-based hydro code
CMakeBuild
CoupledCluster
cpp-d4
C++ port of DFT-D4
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
abagusetty's Repositories
abagusetty/AutoDock-GPU
AutoDock for GPUs and other accelerators
abagusetty/blis
BLAS-like Library Instantiation Software Framework
abagusetty/CMakeBuild
abagusetty/CoupledCluster
abagusetty/cpp-d4
C++ port of DFT-D4
abagusetty/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
abagusetty/E3SM
Energy Exascale Earth System Model source code.
abagusetty/EDUS
Electron dynamics code for optical response calculations
abagusetty/EKAT
Tools and libraries for writing Kokkos-enabled HPC C++ in E3SM ecosystem
abagusetty/ExchCXX
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
abagusetty/ga
Partitioned Global Address Space (PGAS) library for distributed arrays
abagusetty/gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
abagusetty/kokkos
Kokkos C++ Performance Portability Programming EcoSystem: The Programming Model - Parallel Execution and Memory Abstraction
abagusetty/lammps
Public development project of the LAMMPS MD software package
abagusetty/Librett
abagusetty/llvm
Intel staging area for llvm.org contribution. Home for Intel LLVM-based projects.
abagusetty/neko
/ᐠ. ｡.ᐟ\ᵐᵉᵒʷˎˊ˗
abagusetty/PAM
abagusetty/PWDFT
PW DFT development for NWChemEx
abagusetty/scream
Exascale global atmosphere model written in C++ as part of the E3SM project
abagusetty/SIRIUS
Domain specific library for electronic structure calculations
abagusetty/spatter
Benchmark for measuring the performance of sparse and irregular memory access.
abagusetty/superlu_dist
Distributed memory, MPI based SuperLU
abagusetty/syclacademy
SYCL Academy, a set of learning materials for SYCL heterogeneous programming
abagusetty/sycltrain
Training examples for SYCL
abagusetty/TAMM
Tensor Algebra for many-body methods
abagusetty/Uintah
Asynchronous Many Task Framework for set of libraries and applications for simulating and analyzing complex chemical and physical reactions modeled by partial differential equations on structured adaptive grids using hundreds to hundreds of thousands of processors.
abagusetty/unified-runtime
abagusetty/user-guides
ALCF Systems User Documentation
abagusetty/YAKL
Yet Another Kernel Launcher: A simple C++ framework for performance portability and Fortran code porting