e-kwsm Goto Github PK

.config

XDG_CONFIG_HOME

.vim

my .vim configuration

abinit

The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

amd-fftw

FFTW code optimized for AMD based processors

amdsmi

AMD SMI

avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

basis_set_exchange

A repository for quantum chemistry basis sets

bin

boost-study

catch2

A modern, C++-native, test framework for unit-tests, TDD and BDD - using C++14, C++17 and later (C++11 support is in v2.x branch, and C++03 on the Catch1.x branch)

colvars

Collective variables module for molecular simulation and analysis programs

conquest-release

Files for CONQUEST public release

coordgenlibs

Schrodinger-developed 2D Coordinate Generation

cp2k

Quantum chemistry and solid state physics software package

cppinsights

C++ Insights - See your source code with the eyes of a compiler

cpython

The Python programming language

debtap

A script for converting .deb packages into Arch Linux packages, focused on accuracy

decimer-image_transformer

DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

derivative

Nice and easy derivatives for LaTeX

dftbplus

DFTB+ general package for performing fast atomistic simulations

dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

docs

The open-source repo for docs.github.com

doxygen

Official doxygen git repository

effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

fj-fftw3

This is a fork of the FFTW3 for the Armv8-A 64-bit architecture (AArch64) with 512-bit Scalable Vector Extension (SVE) support.

flare

An open-source Python package for creating fast and accurate interatomic potentials.

foyer

A package for atom-typing as well as applying and disseminating forcefields