https://github.com/sparks-baird/crabnet
Predict materials properties using only the composition information!
Science Score: 23.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
○codemeta.json file
-
○.zenodo.json file
-
✓DOI references
Found 5 DOI reference(s) in README -
○Academic publication links
-
✓Committers with academic emails
2 of 10 committers (20.0%) from academic institutions -
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (17.5%) to scientific vocabulary
Keywords
Keywords from Contributors
Repository
Predict materials properties using only the composition information!
Basic Info
- Host: GitHub
- Owner: sparks-baird
- License: mit
- Language: HTML
- Default Branch: main
- Homepage: https://crabnet.readthedocs.io/
- Size: 393 MB
Statistics
- Stars: 17
- Watchers: 1
- Forks: 5
- Open Issues: 22
- Releases: 0
Topics
Metadata Files
README.md
Compositionally-Restricted Attention-Based Network (CrabNet)
The Compositionally-Restricted Attention-Based Network (CrabNet), inspired by natural language processing transformers, uses compositional information to predict material properties.
:warning: This is a fork of the original CrabNet repository :warning:
This is a refactored version of CrabNet, published to PyPI (pip) and Anaconda
(conda). In addition to using .csv files, it allows direct passing of Pandas
DataFrames as training and validation datasets, similar to
automatminer. It also exposes many of
the model parameters at the top-level via CrabNet and uses the sklearn-like "instantiate, fit, predict" workflow. An extend_features is
implemented which allows utilization of data other than the elemental compositions (e.g.
state variables such as temperature or applied load). These changes make CrabNet
portable, extensible, and more broadly applicable, and will be incorporated into the parent repository at a later
date. Please refer to the CrabNet documentation for details on installation and usage. If you find CrabNet useful, please consider citing the following publication in npj Computational Materials:
Citing
bibtex
@article{Wang2021crabnet,
author = {Wang, Anthony Yu-Tung and Kauwe, Steven K. and Murdock, Ryan J. and Sparks, Taylor D.},
year = {2021},
title = {Compositionally restricted attention-based network for materials property predictions},
pages = {77},
volume = {7},
number = {1},
doi = {10.1038/s41524-021-00545-1},
publisher = {{Nature Publishing Group}},
shortjournal = {npj Comput. Mater.},
journal = {npj Computational Materials}
}
Owner
- Name: Sparks/Baird Materials Informatics
- Login: sparks-baird
- Kind: organization
- Email: sterling.baird@utah.edu
- Location: United States of America
- Repositories: 63
- Profile: https://github.com/sparks-baird
Sterling Baird and Taylor Sparks Materials Informatics Projects
GitHub Events
Total
- Issues event: 1
- Watch event: 4
- Push event: 1
- Pull request event: 1
- Fork event: 1
Last Year
- Issues event: 1
- Watch event: 4
- Push event: 1
- Pull request event: 1
- Fork event: 1
Committers
Last synced: almost 3 years ago
All Time
- Total Commits: 387
- Total Committers: 10
- Avg Commits per committer: 38.7
- Development Distribution Score (DDS): 0.256
Top Committers
| Name | Commits | |
|---|---|---|
| sgbaird | s****d@i****m | 288 |
| Sterling Baird | 4****d@u****m | 64 |
| Anthony Wang | a****g@c****e | 8 |
| dependabot[bot] | 4****]@u****m | 8 |
| Anthony Wang | a****g@u****m | 5 |
| Anthony Wang | a****w@g****m | 5 |
| Andrew Falkowski | 4 | |
| MahamadSalah | 4****h@u****m | 3 |
| sgbaird | s****d@u****u | 1 |
| Kevin M Jablonka | 3****m@u****m | 1 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 8 months ago
All Time
- Total issues: 19
- Total pull requests: 56
- Average time to close issues: 26 days
- Average time to close pull requests: about 1 month
- Total issue authors: 7
- Total pull request authors: 4
- Average comments per issue: 0.74
- Average comments per pull request: 0.66
- Merged pull requests: 17
- Bot issues: 0
- Bot pull requests: 45
Past Year
- Issues: 2
- Pull requests: 2
- Average time to close issues: 14 days
- Average time to close pull requests: 4 months
- Issue authors: 2
- Pull request authors: 1
- Average comments per issue: 0.0
- Average comments per pull request: 1.0
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- sgbaird (13)
- tankylz (1)
- yqdleiyi (1)
- kyledmiller (1)
- hasan-sayeed (1)
- Pepe-Marquez (1)
- DavidSiretMarques (1)
Pull Request Authors
- dependabot[bot] (45)
- sgbaird (8)
- kyledmiller (4)
- kjappelbaum (1)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 1
-
Total downloads:
- pypi 216 last-month
- Total dependent packages: 2
- Total dependent repositories: 1
- Total versions: 37
- Total maintainers: 1
pypi.org: crabnet
Predict materials properties using only the composition information.
- Homepage: https://github.com/sparks-baird/CrabNet
- Documentation: https://crabnet.readthedocs.io/
- License: MIT License
-
Latest release: 2.0.8
published about 3 years ago
Rankings
Maintainers (1)
Dependencies
- actions/checkout v2 composite
- conda-forge/automerge-action master composite
- actions/checkout v2 composite
- github/codeql-action/analyze v1 composite
- github/codeql-action/autobuild v1 composite
- github/codeql-action/init v1 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- conda-incubator/setup-miniconda v2 composite
- psf/black stable composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- psf/black stable composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- conda-incubator/setup-miniconda v2 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/checkout v2 composite
- actions/create-release v1 composite
- mikepenz/release-changelog-builder-action v2.4.3 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- psf/black stable composite
- actions/checkout v2 composite
- actions/create-release v1 composite
- actions/setup-python v2 composite
- conda-incubator/setup-miniconda v2 composite
- mikepenz/release-changelog-builder-action v2.4.3 composite
- psf/black stable composite
- conda-forge/webservices-dispatch-action master composite
- conda-souschef
- cudatoolkit <11.4
- flit
- grayskull
- joblib
- matplotlib
- numpy
- pandas
- psutil
- pytest
- python >=3.7,<3.10
- pytorch >=1.9.0
- scikit-learn
- scipy
- seaborn
- tqdm
- joblib ==1.1.0
- matplotlib ==3.5.1
- myst-parser ==0.17.0
- numpy ==1.22.3
- pandas ==1.4.1
- psutil ==5.9.0
- scikit_learn ==1.0.2
- scipy ==1.8.0
- seaborn ==0.11.2
- sphinx ==4.4.0
- sphinx-copybutton ==0.5.0
- torch ==1.11.0
- tqdm ==4.63.0