#Material-science

scikit-learn-contrib

scikit-matter

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

lab-cosmo

torch-pme

Particle-mesh based calculations of long-range interactions in PyTorch

rshkarin

quanfima

Quanfima (Quantitative Analysis of Fibrous Materials)

Gressling

examples

Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020