diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml index 60725c1d..fd7fd98c 100644 --- a/.github/workflows/python-package.yml +++ b/.github/workflows/python-package.yml @@ -17,9 +17,9 @@ jobs: python-version: ["3.9"] steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v3 - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v2 + uses: actions/setup-python@v3 with: python-version: ${{ matrix.python-version }} - name: Test @@ -31,7 +31,7 @@ jobs: coverage run -m unittest discover coverage json - name: Upload coverage artifact - uses: actions/upload-artifact@v2 + uses: actions/upload-artifact@v3 with: name: coverage_artifact path: coverage.json @@ -40,9 +40,9 @@ jobs: needs: test runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v3 - name: Download coverage artifact - uses: actions/download-artifact@v2 + uses: actions/download-artifact@v3 with: name: coverage_artifact - name: Check coverage @@ -54,9 +54,9 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v3 - name: Set up python 3.9 - uses: actions/setup-python@v2 + uses: actions/setup-python@v3 with: python-version: 3.9 - name: Run submission check diff --git a/.github/workflows/rebuild_website.yml b/.github/workflows/rebuild_website.yml index 44ed187b..ddd01bf1 100644 --- a/.github/workflows/rebuild_website.yml +++ b/.github/workflows/rebuild_website.yml @@ -9,9 +9,9 @@ jobs: rebuild_docs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v3 - name: Set up python 3.9 - uses: actions/setup-python@v2 + uses: actions/setup-python@v3 with: python-version: 3.9 - name: Build docs diff --git a/benchmarks/matbench_v0.1_AlchemBERT/info.json b/benchmarks/matbench_v0.1_AlchemBERT/info.json new file mode 100644 index 00000000..bca722f9 --- /dev/null +++ b/benchmarks/matbench_v0.1_AlchemBERT/info.json @@ -0,0 +1,8 @@ +{ + "authors": "Xiaotong Liu, Xingchen Liu and Xiaodong Wen", + "algorithm": "AlchemBERT", + "algorithm_long": "Using natural language to describe a material structure or chemical formula, then employing BERT for regression or classification. Currently, only a very simple description method has been tested, and there is room for further improvement.", + "bibtex_refs": "@article{liu2024alchembert, title={AlchemBERT: Exploring Lightweight Language Models for Materials Informatics}, author={Liu, X and Liu, X and Wen, X}, year={2024}, journal={ChemRxiv}, note={This content is a preprint and has not been peer-reviewed}, doi={10.26434/chemrxiv-2024-r4dnl}, url={https://chemrxiv.org/engage/chemrxiv/article-details/67540a28085116a133a62b85}}", + "notes": "Please refer to the README of https://gitee.com/liuxiaotong15/alchemBERT", + "requirements": {"python": ["fire==0.6.0", "lightning==2.2.3", "torch==2.2.1+cu118", "transformers==4.40.1"]} +} diff --git a/benchmarks/matbench_v0.1_AlchemBERT/readme.py b/benchmarks/matbench_v0.1_AlchemBERT/readme.py new file mode 100644 index 00000000..80126001 --- /dev/null +++ b/benchmarks/matbench_v0.1_AlchemBERT/readme.py @@ -0,0 +1,12 @@ +""" +This script contains code for AlchemBERT. +Our code is hosted at https://gitee.com/liuxiaotong15/alchemBERT. + +If needed, you can contact us to obtain the trained models for each task +and each fold, totaling 25GB. +""" + +if __name__ == "__main__": + print("Our code is hosted at https://gitee.com/liuxiaotong15/alchemBERT.") + print("If needed, you can contact us to obtain the pre-trained models for each task and each fold, totaling 25GB.") + diff --git a/benchmarks/matbench_v0.1_AlchemBERT/results.json.gz b/benchmarks/matbench_v0.1_AlchemBERT/results.json.gz new file mode 100644 index 00000000..ecc70fbb Binary files /dev/null and b/benchmarks/matbench_v0.1_AlchemBERT/results.json.gz differ diff --git a/requirements-dev.txt b/requirements-dev.txt index 4c2ec0e9..ced5ae93 100644 --- a/requirements-dev.txt +++ b/requirements-dev.txt @@ -1,7 +1,6 @@ pytest coverage==6.4.3 wheel==0.37.1 -monty==2022.4.26 isort==5.10.1 black==22.3.0 -flake8==4.0.1 \ No newline at end of file +flake8==4.0.1