Machine Learning Models for Carbon Nanotube Synthesis

Database.xlsx: This is a standardized database of HACNT synthesis. gbr_model.joblib: A regression model using Gradient Boosting Regressor, part of the digital CVD system. rf_model.joblib: A regression model using Random Forest, part of the digital CVD system. svm0or1_model.joblib: A classification model using SVM, part of the digital CVD system. xgb_model.joblib: A regression model using XGBoost, part of the digital CVD system. Test case_embedding.docx: Contains test cases for training the Carbon_BERT model. Carbon_BERT.zip: Contains all the files related to the Carbon_BERT model. Carbon_BERT_embedding_exampleCode.py: Example code for using Carbon_BERT to screen catalysts. Data-driven_ML_Model_training_exampleCode.py: Example code for training data-driven ML models. Bayesian_Optimizer_exampleCode.py: Example code for performing Bayesian optimization and active learning using a data-driven model. Digital_CVD_experiments_exampleCode.py: Example code for conducting virtual experiments using the digital CVD system.