Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub / materialsvirtuallab / m3gnet

Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fm3gnet

Stars: 208
Forks: 56
Open Issues: 15

License: bsd-3-clause
Language: Python
Repo Size: 2.27 MB
Dependencies: 27

Created: over 2 years ago
Updated: 30 days ago
Last pushed: 11 months ago
Last synced: 28 days ago

Topics: deep-learning, graph, machine-learning, materials-science, neural-network

Files

Loading...

Readme

Loading...

Dependencies

requirements-ci.txt pypi

black *
coverage ==6.2
coveralls ==3.3.1
flake8 *
mypy *
pycodestyle *
pydocstyle *
pylint *
pytest ==7.1.2
pytest-cov ==3.0.0
types-tabulate ==0.8.3

requirements.txt pypi

ase ==3.22.0
cython ==0.29.26
protobuf ==3.20.0
pymatgen ==2022.4.19
tensorflow ==2.9.0

setup.py pypi

ase *
cython *
monty *
numpy *
pymatgen >=2022.1.1
sympy *
tensorflow *

.github/workflows/linting.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite

.github/workflows/testing.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite