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desktop-app

Leanote Desktop App, based on Electron(atom-shell) http://leanote.org

dft2

Hartree-Fock/Kohn-Sham in Matlab

dnc

A TensorFlow implementation of the Differentiable Neural Computer.

dtnn

Deep Tensor Neural Network

electron

Build cross platform desktop apps with JavaScript, HTML, and CSS

examples

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.

f2py-examples

Examples of using f2py to get high-speed Fortran integrated with Python easily

f90wrap

F90 to Python interface generator with derived type support

fireball-master

Master repository for most of the sources

fortran-phd-thesis

Modeling Molecular Flexibility for Crystal Structure Prediction (PhD Thesis)

fortran2018-examples

Easy examples of scientific computing with modern, powerful, easy Fortran 2018 standard

fortran_examples

Fortran example programs for Intro to Computational Physics

foxopen

FOXopen is an open source (GPL v3) Java based web framework enabling rapid development of secure workflow-based web systems

fson

Fortran 95 JSON Parser

g2

Simple to use graphics library for 2D graphical applications written in Ansi-C

ga_optimization_ternary

genetic algorithms used in search for water splitting perovskites

gfort2py

Library to allow calling fortran code from python

glosim

A Python package to compute similarities between molecules and structures

gridstudio

Grid studio is a web-based spreadsheet application with full integration of the Python programming language.

gscf

A general library for solving self-consistent field problems

hamaa

Hamaa: a Simple and Naive Deep Learning library.

hartree-fock

Solution of Hartree-Fock equations within Pople's STO-3G basis set

hartree-fock-1

A simple Hartree-Fock implementation in Julia

hartree-fock-2

Hartree-Fock Johnson program wrapped to python

hartree-fock-3

hartree-fock-code

Example Hartree-Fock code in Fortran

hartree_fock

Implimentation of the reduced Hartree Fock method

hartreefock

A simple Fortran 90 Hartree Fock code

hfmatlab

Closed-shell Hartree-Fock approximation in Matlab

imago

Imago OCR: chemical image recognition toolkit