add AlchemBERT results #new_benchmark

.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

.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

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author={Liu, X and Liu, X and Wen, X}, year={2024}, journal={ChemRxiv}, note={This content is a preprint and has not been peer-reviewed}, doi={10.26434/chemrxiv-2024-r4dnl}, url={https://chemrxiv.org/engage/chemrxiv/article-details/67540a28085116a133a62b85}}",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"]}
+}

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.")
+

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
+flake8==4.0.1