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sci-mathematics/msieve

A C library implementing a suite of algorithms to factor large integers

sci-mathematics/petsc

Portable, Extensible Toolkit for Scientific Computation

sci-mathematics/slepc

Scalable Library for Eigenvalue Problem Computations

sci-physics/lammps

Large-scale Atomic/Molecular Massively Parallel Simulator

sci-physics/reduze

Program for reducing Feynman integrals

sci-physics/root

C++ data analysis framework and interpreter from CERN

sci-visualization/paraview

Powerful scientific data visualization application

sys-cluster/gasnet

Networking middleware for partitioned global address space (PGAS) language

sys-cluster/mpich

A high performance and portable MPI implementation

sys-cluster/charm

Message-passing parallel language and runtime system

sys-cluster/hpx

C++ runtime system for parallel and distributed applications

dev-debug/valgrind

An open-source memory debugger for GNU/Linux

sci-ml/caffe2

A deep learning framework

sci-ml/gloo

library of floating-point neural network inference operators

sci-physics/vbfnlo

A parton level Monte Carlo for processes wit electroweak bosons

sci-physics/whizard

The WHIZARD Event Generator

app-crypt/wisecracker

An open source framework for tools that can distribute brute force cryptanalysis

sci-libs/wannier90

Package for generating maximally-localized Wannier functions

sci-libs/elpa

The publicly available ELPA library provides highly efficient and highly scalable direct eigensolvers for symmetric matrices

sci-physics/abinit

A software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials

sci-physics/gpaw

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE)

sci-physics/quantum-espresso

Suite for first-principles electronic-structure calculations and materials modeling

dev-python/mpi-sppy

mpi-sppy

dev-python/pyUSID

Framework for storing, visualizing, and processing Universal Spectroscopic and Imaging Data (USID)

dev-lang/berkeley_upc

The Berkeley UPC Runtime/driver

dev-libs/oneCCL

oneAPI Collective Communications Library

sci-biology/ffindex

Simple index/database for huge amounts of small files

sci-chemistry/gamess

A powerful quantum chemistry package

sci-libs/optpp

C++ library for non-linear optimization

sci-mathematics/freefem++

Solve PDEs using FEM on 2d and 3d domains

sci-misc/elmer-fem

Finite element programs, libraries, and visualization tools

sci-physics/sherpa

Simulation of High-Energy Reactions of PArticles

sci-mathematics/cado-nfs

Number Field Sieve (NFS) implementation for factoring integers

sci-libs/spooles

SParse Object Oriented Linear Equations Solver

dev-python/python-pmpm

a package manager written in Python for manually installing a compiled stack

dev-python/scip

Scalable Cytometry Image Processing (SCIP) is an open-source tool that implements an image

dev-python/simulai-toolkit

A Python package with data-driven pipelines for physics-informed machine learning

dev-python/stable-baselines

A fork of OpenAI Baselines, implementations of reinforcement learning algorithms.

dev-python/unidist

Unified Distributed Execution

dev-python/uvw

Universal VTK Writer for Numpy Arrays

sci-electronics/openems

Free and open electromagnetic field solver using the FDTD method

dev-python/yet-another-wizz

Implementation of the Schmidt et al. (2013) clustering redshift method.