killiansheriff Goto Github PK

atomisticreversemontecarlo

OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

chemicalmotifidentifier

A Python package to perform a chemical motif characterization of short-range order.

demistifyinge3nn

A blog post on E(3)-equivariant Neural Networks.

dmol-book

Deep learning for molecules and materials book

efficient_python_tricks_and_tools_for_data_scientists

Efficient Python Tricks and Tools for Data Scientists

inpainting-gmcnn-keras

Keras implementation of "Image Inpainting via Generative Multi-column Convolutional Neural Networks" paper published at NIPS 2018

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

killiansheriff

lovelyplots

Matplotlib style sheets to nicely format figures for scientific papers, thesis and presentations while keeping them fully editable in Adobe Illustrator.

nshellfinder

Ovito Python modifier to find the n-th coordination shell neighbors.

polya

A python implementation of Polya's enumeration theory (pattern inventory).

sbatchpy

A python package that allows easy sbatch job script creation and submissions on hpc clusters, directly from python.

simplex

A python package that implement the geometric object of a simplex.

warrencowleyparameters

OVITO Python modifier to compute the Warren-Cowley parameters.