Alankar Rastogi's repositories
Avogadro-Packmol-Extension
An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
awesome-math
A curated list of awesome mathematics resources
computational_chemistry
Files used in TMP Chem videos on computational chemistry
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.
handson-ml
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.
hello-world
Learning about GitHub
jupyter-course
Jupyter Course
lammps-git-tutorial
GitHub Tutorial Repo for the LAMMPS workshop (DEMO ONLY)
LAMMPS_Examples
Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
loos
LOOS: a lightweight object-oriented structure analysis library
MD_workflow_py
Molecular dynamics workflow framework in python.
mpitutorial
MPI programming lessons in C and executable code examples
physical_chemistry
Files used in TMP Chem videos on physical chemistry
PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
scientific-python-lectures
Lectures on scientific computing with python, as IPython notebooks.
scipy-lecture-notes
Tutorial material on the scientific Python ecosystem
TensorFlow-Examples
TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)