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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
media-gfx/ufraw
RAW Image format viewer and GIMP plugin
dev-libs/memkind
user extensible heap manager built on top of jemalloc
sci-biology/ntCard
Estimate k-mer coverage histogram of genomics data
sci-biology/idba
De novo De Bruijn graph assembler iteratively using multimple k-mers
sci-biology/megahit
Metagenome assembler using succinct de Bruijn graph approach with CUDA
sci-biology/vcflib
VCF/BED utils, Genotype Phenotype Association Toolkit (GPAT++)
sci-chemistry/gamess
A powerful quantum chemistry package
sci-chemistry/erkale
Quantum chemistry program for atoms and molecules
sci-libs/ensmallen
header only C++ library for numerical optimization
sci-libs/torchaudio
Data manipulation and transformation for audio signal processing
sci-physics/openmx
Material eXplorer
media-gfx/realsr-ncnn-vulkan
RealSR super resolution implemented with ncnn library.
media-gfx/srmd-ncnn-vulkan
SRMD super resolution implemented with ncnn library.
games-fps/gzdoom
A modder-friendly OpenGL source port based on the DOOM engine
media-gfx/nvidia-texture-tools
A set of cuda-enabled texture tools and compressors
sci-libs/calculix-ccx
A Free Software Three-Dimensional Structural Finite Element Program
media-gfx/gmic
GREYC's Magic Image Converter
sci-misc/ik_llama-cpp
llama.cpp fork with additional SOTA quants and improved performance
sci-visualization/gwyddion3
Framework for Scanning Mode Microscopy data analysis (3.x unstable)
sci-libs/paru
parallel multifrontal LU factorization algorithms.