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Eisuke Kawashima's repositories

cp2k

Quantum chemistry and solid state physics software package

Language:FortranGPL-2.0100

neovim

Vim-fork focused on extensibility and usability

Language:Vim ScriptNOASSERTION100

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:PythonNOASSERTION1 10

rdkit

The official sources for the RDKit library

Language:HTMLBSD-3-Clause1 20

.vim

my .vim configuration

Language:TypeScript000

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++BSD-3-Clause000

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++BSD-3-Clause000

basis_set_exchange

A repository for quantum chemistry basis sets

Language:PythonBSD-3-Clause000

cppinsights

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

Language:C++MIT000

cpython

The Python programming language

Language:PythonNOASSERTION000

libmsym

molecular point group symmetry lib

Language:CMIT000

nwchem

NWChem: Open Source High-Performance Computational Chemistry

Language:FortranNOASSERTION000

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Language:C++LGPL-3.0000

py4vasp

Python interface for VASP

Language:PythonApache-2.0000

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

Language:CNOASSERTION000

pyscf

Python module for quantum chemistry

Language:PythonApache-2.0000

quill

Asynchronous Low Latency C++ Logging Library

Language:C++MIT000

QUIP

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

Language:Fortran000

rapidjson

A fast JSON parser/generator for C++ with both SAX/DOM style API

Language:C++NOASSERTION000

rocBLAS

Next generation BLAS implementation for ROCm platform

Language:C++NOASSERTION000

scipy

SciPy library main repository

Language:PythonBSD-3-Clause000

shadow

Upstream shadow tree

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simple-dftd3

reimplementation of the DFT-D3 program

Language:FortranLGPL-3.0000

SMAC3

SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

Language:PythonNOASSERTION000

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

Language:PythonNOASSERTION000

spglib

C library for finding and handling crystal symmetries

Language:CBSD-3-Clause000

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++NOASSERTION000

VELOC

Very-Low Overhead Checkpointing System

Language:C++MIT000

vim

The official Vim repository

Language:Vim ScriptVim000

xtb

Semiempirical Extended Tight-Binding Program Package

Language:FortranLGPL-3.0000