AlchemBERT

We tested BERT on IS2RE task of Matbench Discovery.

We described the structural information in natural language and then performed a regression from 768 to 1 on BERT.

Usage

download bert-base-cased on HuggingFace Web
download IS2RE datasets
Run load_md_data.py to exchange Structures to the input_ids and attention_mask of bert
Train and predict

Name		Name	Last commit message	Last commit date
Latest commit History 10 Commits
2024-12-25-alchembert-wbm-IS2RE.csv.gz		2024-12-25-alchembert-wbm-IS2RE.csv.gz
README.md		README.md
bert_train.py		bert_train.py
constants.py		constants.py
error_distribution_histogram.png		error_distribution_histogram.png
get_data.py		get_data.py
load_md_data.py		load_md_data.py
predict.py		predict.py
str_matbench_data_generation.py		str_matbench_data_generation.py