Awesome Open Source

Programming Languages

Search results for materials science atomistic simulations

atomistic-simulations x

materials-science x

6 search results found

NequIP is a code for building E(3)-equivariant interatomic potentials

Awesome Materials Informatics ⭐ 310

Curated list of known efforts in materials informatics = modern materials science

Allegro ⭐ 169

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Pycrystal ⭐ 9

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Ringsstatisticsmatter.jl ⭐ 5

Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations

Related Searches

Python Materials Science (120)

Material Materials Science (62)

Machine Learning Materials Science (50)

Jupyter Notebook Materials Science (44)

Chemistry Materials Science (30)

Deep Learning Materials Science (18)

Crystal Materials Science (18)

Computational Chemistry Materials Science (16)

Pytorch Materials Science (11)

Molecular Dynamics Materials Science (11)

1-6 of 6 search results

Privacy | About | Terms | Follow Us On Twitter

Copyright 2018-2024 Awesome Open Source. All rights reserved.