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GitHub / materialsvirtuallab / matgl
Graph deep learning library for materials
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl
Stars: 221
Forks: 55
Open Issues: 2
License: bsd-3-clause
Language: Python
Repo Size: 82.9 MB
Dependencies:
120
Created: almost 2 years ago
Updated: about 23 hours ago
Last pushed: about 23 hours ago
Last synced: about 23 hours ago
Topics: deep, graph, learning, materials-informatics, materials-science
Files
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Readme
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Dependencies
requirements-ci.txt
pypi
- coverage *
- coveralls *
- flake8 *
- mypy *
- pycodestyle *
- pydocstyle *
- pylint *
- pytest *
- pytest-cov *
- types-tabulate *
requirements.txt
pypi
- numpy ==1.23.4
- pymatgen ==2022.11.1
- torch ==1.13.0
- torchaudio ==0.13.0
- torchvision ==0.14.0
.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
.devcontainer/Dockerfile
docker
docker/cpu/Dockerfile
docker
- python 3.9.17 build
docker/cuda/Dockerfile
docker
- python 3.9.17 build
pyproject.toml
pypi
setup.py
pypi
docs/Gemfile
rubygems
- github-pages >= 0 development
- jekyll-feed ~> 0.12 development
- http_parser.rb ~> 0.6.0
- minima ~> 2.5
- tzinfo >= 1, < 3
- tzinfo-data >= 0
- wdm ~> 0.1.1
- webrick ~> 1.8
docs/Gemfile.lock
rubygems
- activesupport 7.0.7.2
- addressable 2.8.4
- bundler 2.3.26
- coffee-script 2.4.1
- coffee-script-source 1.11.1
- colorator 1.1.0
- commonmarker 0.23.10
- concurrent-ruby 1.2.2
- dnsruby 1.70.0
- em-websocket 0.5.3
- ethon 0.16.0
- eventmachine 1.2.7
- execjs 2.8.1
- faraday 2.7.6
- faraday-net_http 3.0.2
- ffi 1.15.5
- forwardable-extended 2.6.0
- gemoji 3.0.1
- github-pages 228
- github-pages-health-check 1.17.9
- html-pipeline 2.14.3
- http_parser.rb 0.8.0
- i18n 1.14.1
- jekyll 3.9.3
- jekyll-avatar 0.7.0
- jekyll-coffeescript 1.1.1
- jekyll-commonmark 1.4.0
- jekyll-commonmark-ghpages 0.4.0
- jekyll-default-layout 0.1.4
- jekyll-feed 0.15.1
- jekyll-gist 1.5.0
- jekyll-github-metadata 2.13.0
- jekyll-include-cache 0.2.1
- jekyll-mentions 1.6.0
- jekyll-optional-front-matter 0.3.2
- jekyll-paginate 1.1.0
- jekyll-readme-index 0.3.0
- jekyll-redirect-from 0.16.0
- jekyll-relative-links 0.6.1
- jekyll-remote-theme 0.4.3
- jekyll-sass-converter 1.5.2
- jekyll-seo-tag 2.8.0
- jekyll-sitemap 1.4.0
- jekyll-swiss 1.0.0
- jekyll-theme-architect 0.2.0
- jekyll-theme-cayman 0.2.0
- jekyll-theme-dinky 0.2.0
- jekyll-theme-hacker 0.2.0
- jekyll-theme-leap-day 0.2.0
- jekyll-theme-merlot 0.2.0
- jekyll-theme-midnight 0.2.0
- jekyll-theme-minimal 0.2.0
- jekyll-theme-modernist 0.2.0
- jekyll-theme-primer 0.6.0
- jekyll-theme-slate 0.2.0
- jekyll-theme-tactile 0.2.0
- jekyll-theme-time-machine 0.2.0
- jekyll-titles-from-headings 0.5.3
- jekyll-watch 2.2.1
- jemoji 0.12.0
- kramdown 2.3.2
- kramdown-parser-gfm 1.1.0
- liquid 4.0.4
- listen 3.8.0
- mercenary 0.3.6
- minima 2.5.1
- minitest 5.19.0
- nokogiri 1.15.2
- octokit 4.25.1
- pathutil 0.16.2
- public_suffix 4.0.7
- racc 1.7.0
- rb-fsevent 0.11.2
- rb-inotify 0.10.1
- rexml 3.2.5
- rouge 3.26.0
- ruby2_keywords 0.0.5
- rubyzip 2.3.2
- safe_yaml 1.0.5
- sass 3.7.4
- sass-listen 4.0.0
- sawyer 0.9.2
- simpleidn 0.2.1
- terminal-table 1.8.0
- typhoeus 1.4.0
- tzinfo 2.0.6
- unf 0.1.4
- unf_ext 0.0.8.2
- unicode-display_width 1.8.0
- webrick 1.8.1