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25-36 of 57

CAT

CAT is a collection of tools designed for the construction of various chemical compounds.

High performance computing

Python
Shell

ccglib

The Complex CUDA GEMM Library (ccglib) provides mixed-precision matrix-matrix multiplication kernels for complex data.

CUDA
GPU
High performance computing
+ 1

Cerise

Cerise is a service for running CWL workflows on HPC resources. You add software, tool descriptions, and connection information, then your user runs workflows whenever they want.

High performance computing
Optimized data handling
Workflow technologies

Python
Common Workflow Language
Dockerfile
+ 2

cerulean

A Python 3 library for talking to HPC clusters and supercomputers.

High performance computing
SFTP
SLURM
+ 2

Python
Shell
Dockerfile

CHAMP-EU

The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations. The code is developed by Claudia Filippi and Saverio Moroni, with significant contributions by Ravindra Shinde, N. Renaud, V. Azizi, E. Landinez, and S. Shepard.

Chemistry
High performance computing
Physics
+ 1

C
Fortran
Nemerle
+ 16

Compas Toolkit

The Compas Toolkit is a high-performance C++ library offering GPU-accelerated functions for use in quantitative MRI research.

GPU
High performance computing
MRI

Cuda
C++
Julia
+ 4

DG_RoomAcoustics

DG_RoomAcoustics is an open-source python-based software for room acoustics using the time-domain wave-based method. It implements the nodal discontinuous Galerkin method for spatial discretization of the linear acoustic equations, integrated over time with explicit schemes.

Acoustics
High performance computing
python

Python

Eigencuda

Offload Eigen matrix-matrix multiplications to an Nvidia GPU

GPU
High performance computing

C++
CMake

FLAME GPU

FLAME GPU is a GPU accelerated simulator for domain independent complex systems simulations. FLAME GPU provides a mapping between a simple description of an agent and its interactions into optimised GPU code. The software abstracts the details and complexity of the GPU away from modellers.

GPU
High performance computing
Multi-scale & multi model simulations
+ 2

flamingo

Compute and filter molecular properties for quantum dot ligands

High performance computing

Python

Davidson diagonalization in Fortran

This package contains a Modern Fortran implementation of the Davidson diagonalization algorithms to compute several eigenvalue-eigenvector pairs of a symmetric matrix

High performance computing

Fortran
CMake
Python

HPGEM

hpGEM is a C++ partial differential equation solver. It is intended for Discontinuous Galerkin Finite Element Methods, but can also do normal (conforming) Finite Element Methods and Finite Volume.

Finite Element
High performance computing

C++
CMake
TeX
+ 6