m-rivera

ljmd

Lennard-Jones Molecular Dynamics for beginners

awesome-python-chemistry

A curated list of Python packages related to chemistry

hf

Translating Szabo and Ostlund HF code to Python

mootler

Your Moodle butler who gives usage reports from activity logs.

m-rivera.github.io

Personal website

plot_NX

A plotting tool for Newton-X spectrum output

mnist_for_kaggle

Neural network example for the Kaggle 'Digit Recognizer' challenge

bga-coinche

Coinche (belote card game) implementation for BoardGameArena

chemistry_examples

countdown_oracle

Doctoral-thesis

example_friday

example_repo

Hello

hpc-python

Python in High Performance Computing

lj_dynamics

Lennard-Jones Molecular Dynamics in Python

outcar2xyz

Utility to turn a VASP optimisation into an xyz trajectory

pythoninchemistry.github.io

pythoninchemistry.github.io

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

roman_add

Python tool to add two Roman numerals together

test

the-turing-way

Host repository for The Turing Way: a how to guide for reproducible data science