e-kwsm

Japan

Pinned Repositories

.vim
my .vim configuration
Language:TypeScript1 1 00
cp2k
Quantum chemistry and solid state physics software package
Language:Fortran1 1 00
dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran1 1 00
fprettify
auto-formatter for modern fortran source code
Language:Python3 1 00
lammps
Public development project of the LAMMPS MD software package
Language:C++1 1 00
libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Language:C++1 1 00
meson
The Meson Build System
Language:Python1 1 00
mordred
a molecular descriptor calculator
Language:Python1 1 00
neovim
Vim-fork focused on extensibility and usability
Language:Vim Script1 0 00
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Language:Python1 1 00

e-kwsm's Repositories

e-kwsm/.vim
my .vim configuration
Language:TypeScript1 1 00
e-kwsm/cp2k
Quantum chemistry and solid state physics software package
Language:Fortran1 1 00
e-kwsm/meson
The Meson Build System
Language:Python1 1 00
e-kwsm/neovim
Vim-fork focused on extensibility and usability
Language:Vim Script1 0 00
e-kwsm/rdkit
The official sources for the RDKit library
Language:HTML1 2 00
e-kwsm/avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Language:C++0 0
e-kwsm/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Language:C++1 01
e-kwsm/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)
Language:C++0 0
e-kwsm/colvars
Collective variables module for molecular simulation and analysis programs
Language:C++0 0
e-kwsm/cpython
The Python programming language
Language:Python1 0
e-kwsm/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
Language:Python0 0
e-kwsm/faber
Faber
e-kwsm/llvm-project
The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.
Language:LLVM
e-kwsm/maggma
MongoDB aggregation machine
Language:Python0 0
e-kwsm/mctc-lib
Modular computation tool chain library
Language:Fortran0 0
e-kwsm/MPContribs
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
Language:Jupyter Notebook
e-kwsm/nwchem
NWChem: Open Source High-Performance Computational Chemistry
Language:Fortran0 0
e-kwsm/oneDNN
oneAPI Deep Neural Network Library (oneDNN)
Language:C++
e-kwsm/oneMKL
oneAPI Math Kernel Library (oneMKL) Interfaces
Language:C++0 0
e-kwsm/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++2 0
e-kwsm/pyscf
Python module for quantum chemistry
Language:Python0 0
e-kwsm/python
Boost.org python module
Language:C++
e-kwsm/pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
Language:Python
e-kwsm/rocm_smi_lib
ROCm SMI LIB
Language:C++0 0
e-kwsm/rocminfo
ROCm Application for Reporting System Info
Language:C++
e-kwsm/shellcheck
ShellCheck, a static analysis tool for shell scripts
e-kwsm/swig
SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.
Language:C++0 0
e-kwsm/sympy
A computer algebra system written in pure Python
Language:Python0 0
e-kwsm/toml-f
TOML parser implementation for data serialization and deserialization in Fortran
e-kwsm/vim
The official Vim repository
Language:Vim Script1 0