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asetk

Toolkit using the Atomistic Simulation Environment (ASE)

Language:PythonMIT1800

ase-espresso

ase interface for Quantum Espresso

Language:PythonGPL-3.06400

beamformer_simulation

Big simulation study for MNE-Python's LCMV and DICS beamformers

Language:PythonBSD-3-Clause400

DFTK.jl

Density-functional toolkit

Language:JuliaMIT42500

A Julia package for defining and working with linear maps, also known as linear transformations or linear operators acting on vectors. The only requirement for a LinearMap is that it can act on a vector (by multiplication) efficiently.

Language:JuliaNOASSERTION30300

KrylovKit.jl

Krylov methods for linear problems, eigenvalues, singular values and matrix functions

Language:JuliaNOASSERTION27800

LineSearches.jl

Line search methods for optimization and root-finding

Language:JuliaNOASSERTION11500

JacobiDavidson.jl

Jacobi-Davidson method in Julia

Language:JuliaMIT3000

ArnoldiMethod.jl

The Arnoldi Method with Krylov-Schur restart, natively in Julia.

Language:JuliaMIT9500

amgcl

C++ library for solving large sparse linear systems with algebraic multigrid method

Language:C++MIT72300

rmgdft

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

Language:C++GPL-2.04600

codelab_adapter_client_python

Python Client of CodeLab Adapter v2.

Language:PythonNOASSERTION1100

LoggingExtras.jl

Composable Loggers for the Julia Logging StdLib

Language:JuliaNOASSERTION13900

julia-gpu-course

GPU Programming with Julia - course at the Swiss National Supercomputing Centre (CSCS), ETH Zurich

MIT100

GCGE-1.0

General Conjugate Gradient Eigensolver

Language:Fortran300

Incomplete-Cholesky-Conjugate-Gradient-method

Incomplete Cholesky Conjugate Gradient method

Language:Julia100

Anime-Girls-Holding-Programming-Books

Anime Girls Holding Programming Books

1864800

JuliaBasics

The open source version of book `Julia Programming Basics`

47700

Infiltrator.jl

No-overhead breakpoints in Julia

Language:JuliaMIT39900

PyCall.jl

Package to call Python functions from the Julia language

Language:JuliaMIT146200

PWDFT.jl

Plane wave density functional theory using Julia programming language

Language:Julia11100

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

Language:PythonMIT62400

core-periphery-detection

Python package for detecting core-periphery structure in networks.

Language:PythonApache-2.04600

moo

Genetic algorithm library for Haskell. Binary and continuous (real-coded) GAs. Binary GAs: binary and Gray encoding; point mutation; one-point, two-point, and uniform crossover. Continuous GAs: Gaussian mutation; BLX-α, UNDX, and SBX crossover. Selection operators: roulette, tournament, and stochastic universal sampling (SUS); with optional niching, ranking, and scaling. Replacement strategies: generational with elitism and steady state. Constrained optimization: random constrained initialization, death penalty, constrained selection without a penalty function. Multi-objective optimization: NSGA-II and constrained NSGA-II.

Language:HaskellNOASSERTION6100

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