Sonu Kumar's repositories
mpi4py-examples
mpi4py examples
python-c-extension
This is the practice of Python C extensions.
kumarsonu.github.io
electronic structure understanding site
atomistic-simulation-tutorial
Atomistic simulation hands on tutorial on Matlantis
csv-fortran
Read and Write CSV Files Using Modern Fortran
DeepDFT
Official implementation of DeepDFT model
espresso
Notes and tutorials on density functional theory calculations using Quantum Espresso.
F90GIO
general I/O interface for NetCDF, HDF4, HDF5 of fortran90 language
fortran-in-python
Examples of how to build/call Fortran modules in Python
FortranQuickSort
The quick sort algorithm implemented in free format Fortran 90/95.
gsl
GNU Scientific Library with CMake build support and AMPL bindings
handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
hugo-awesome-identity
😤 Awesome Identity is a single-page Hugo theme to introduce yourself.
interfacing_fortran_from_python
Training course -- Interfacing Fortran and Python: Using cffi, ctypes and cython
libcint
general GTO integrals for quantum chemistry
machine-learning-examples-with-PyTorch-and-Scikit-Learn-
Code Repository for Machine Learning with PyTorch and Scikit-Learn
markdown-it
Markdown parser, done right. 100% CommonMark support, extensions, syntax plugins & high speed
Matrix-Calculus-Tutorial
Matrix Calculus via Differentials, Matrix Derivative, 矩阵求导教程
mdutils
Python package contains a set of basic tools that can help to create a markdown file.
NewtonNet
A Newtonian message passing network for deep learning of interatomic potentials and forces
pytorch-tutorial
PyTorch Tutorial for Deep Learning Researchers
sta-663-2018
STA 663: Computational Statistics and Statistical Computing (2018)
to_f90
Alan Miller's tool for converting Fortran 77 code to free-form Fortran 90 code
tutorial_open_catalyst_project
Tutorials on using OCP
xespresso
ASE and QE for workflow for catalysis