├── .github └── workflows │ └── ci.yml ├── .gitignore ├── Dockerfile ├── LICENSE ├── README.md ├── docker-compose.yml ├── environment.yml ├── main.py ├── pyproject.toml ├── setup.py ├── toy-dataset ├── test_dataset.csv └── test_solvent_categorical_list.csv └── website ├── __init__.py ├── auth.py ├── bo_integration.py ├── datalab_data.py ├── dataset_forms.py ├── experiment_forms.py ├── home_dash.py ├── models.py ├── sqlalchemy_schemadisplay.py ├── static ├── .DS_Store ├── Datalab_connect.png ├── add_dataset.png ├── add_experiment.png ├── add_measurements.png ├── case_study_pop_up.png ├── catalyst_options.png ├── checkmark_v01.png ├── clipboard_icon_v01.png ├── dataset.png ├── download_dataset.png ├── experiment_setup_data.png ├── explore.png ├── expt.css ├── fig1_overview_t8.png ├── fig5_casestudy_single_col_t2.png ├── finish.png ├── general_form_categorical_var.png ├── get_recommendations.png ├── home_page_annotated.png ├── hyperparameters.png ├── index.js ├── name_case_dataset.png ├── parameter_space.png ├── parameter_space_icon.png ├── reizman_reaction.png ├── sample_dataset.png ├── select_dataset_explore.png ├── set_up_case_study.png ├── test_dataset_v01.png ├── upload_options.png ├── web-BO_logo.png └── web-BO_video_tutorial_v02.mp4 └── templates ├── add_measurements.html ├── backup_base.html ├── base.html ├── connect_datalab.html ├── explanations.html ├── home.html ├── login.html ├── parameter_space.html ├── run_expt.html ├── select_dataset_upload_method.html ├── send_datalab.html ├── setup_backup.html ├── setup_experiment.html ├── sign_up.html ├── tutorial.html ├── upload.html ├── video_tutorial.html ├── view_dataset.html └── view_experiment.html /.github/workflows/ci.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/.github/workflows/ci.yml -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | .venv/ 2 | .vis-db/ 3 | __pycache__ 4 | *.egg-info 5 | **/*.db 6 | .webBO_v03 -------------------------------------------------------------------------------- /Dockerfile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/Dockerfile -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/README.md -------------------------------------------------------------------------------- /docker-compose.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/docker-compose.yml -------------------------------------------------------------------------------- /environment.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/environment.yml -------------------------------------------------------------------------------- /main.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/main.py -------------------------------------------------------------------------------- /pyproject.toml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/pyproject.toml -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/setup.py -------------------------------------------------------------------------------- /toy-dataset/test_dataset.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/toy-dataset/test_dataset.csv -------------------------------------------------------------------------------- /toy-dataset/test_solvent_categorical_list.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/toy-dataset/test_solvent_categorical_list.csv -------------------------------------------------------------------------------- /website/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/__init__.py -------------------------------------------------------------------------------- /website/auth.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/auth.py -------------------------------------------------------------------------------- /website/bo_integration.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/bo_integration.py -------------------------------------------------------------------------------- /website/datalab_data.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/datalab_data.py -------------------------------------------------------------------------------- /website/dataset_forms.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/dataset_forms.py -------------------------------------------------------------------------------- /website/experiment_forms.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/experiment_forms.py -------------------------------------------------------------------------------- /website/home_dash.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/home_dash.py -------------------------------------------------------------------------------- /website/models.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/models.py -------------------------------------------------------------------------------- /website/sqlalchemy_schemadisplay.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/sqlalchemy_schemadisplay.py -------------------------------------------------------------------------------- /website/static/.DS_Store: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/.DS_Store -------------------------------------------------------------------------------- /website/static/Datalab_connect.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/Datalab_connect.png -------------------------------------------------------------------------------- /website/static/add_dataset.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/add_dataset.png -------------------------------------------------------------------------------- /website/static/add_experiment.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/add_experiment.png -------------------------------------------------------------------------------- /website/static/add_measurements.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/add_measurements.png -------------------------------------------------------------------------------- /website/static/case_study_pop_up.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/case_study_pop_up.png -------------------------------------------------------------------------------- /website/static/catalyst_options.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/catalyst_options.png -------------------------------------------------------------------------------- /website/static/checkmark_v01.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/checkmark_v01.png -------------------------------------------------------------------------------- /website/static/clipboard_icon_v01.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/clipboard_icon_v01.png -------------------------------------------------------------------------------- /website/static/dataset.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/dataset.png -------------------------------------------------------------------------------- /website/static/download_dataset.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/download_dataset.png -------------------------------------------------------------------------------- /website/static/experiment_setup_data.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/experiment_setup_data.png -------------------------------------------------------------------------------- /website/static/explore.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/explore.png -------------------------------------------------------------------------------- /website/static/expt.css: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/expt.css -------------------------------------------------------------------------------- /website/static/fig1_overview_t8.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/fig1_overview_t8.png -------------------------------------------------------------------------------- /website/static/fig5_casestudy_single_col_t2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/fig5_casestudy_single_col_t2.png -------------------------------------------------------------------------------- /website/static/finish.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/finish.png -------------------------------------------------------------------------------- /website/static/general_form_categorical_var.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/general_form_categorical_var.png -------------------------------------------------------------------------------- /website/static/get_recommendations.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/get_recommendations.png -------------------------------------------------------------------------------- /website/static/home_page_annotated.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/home_page_annotated.png -------------------------------------------------------------------------------- /website/static/hyperparameters.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/hyperparameters.png -------------------------------------------------------------------------------- /website/static/index.js: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/index.js -------------------------------------------------------------------------------- /website/static/name_case_dataset.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/name_case_dataset.png -------------------------------------------------------------------------------- /website/static/parameter_space.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/parameter_space.png -------------------------------------------------------------------------------- /website/static/parameter_space_icon.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/parameter_space_icon.png -------------------------------------------------------------------------------- /website/static/reizman_reaction.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/reizman_reaction.png -------------------------------------------------------------------------------- /website/static/sample_dataset.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/sample_dataset.png -------------------------------------------------------------------------------- /website/static/select_dataset_explore.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/select_dataset_explore.png -------------------------------------------------------------------------------- /website/static/set_up_case_study.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/set_up_case_study.png -------------------------------------------------------------------------------- /website/static/test_dataset_v01.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/test_dataset_v01.png -------------------------------------------------------------------------------- /website/static/upload_options.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/upload_options.png -------------------------------------------------------------------------------- /website/static/web-BO_logo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/web-BO_logo.png -------------------------------------------------------------------------------- /website/static/web-BO_video_tutorial_v02.mp4: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/static/web-BO_video_tutorial_v02.mp4 -------------------------------------------------------------------------------- /website/templates/add_measurements.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/add_measurements.html -------------------------------------------------------------------------------- /website/templates/backup_base.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/backup_base.html -------------------------------------------------------------------------------- /website/templates/base.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/base.html -------------------------------------------------------------------------------- /website/templates/connect_datalab.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/connect_datalab.html -------------------------------------------------------------------------------- /website/templates/explanations.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/explanations.html -------------------------------------------------------------------------------- /website/templates/home.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/home.html -------------------------------------------------------------------------------- /website/templates/login.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/login.html -------------------------------------------------------------------------------- /website/templates/parameter_space.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/parameter_space.html -------------------------------------------------------------------------------- /website/templates/run_expt.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/run_expt.html -------------------------------------------------------------------------------- /website/templates/select_dataset_upload_method.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/select_dataset_upload_method.html -------------------------------------------------------------------------------- /website/templates/send_datalab.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/send_datalab.html -------------------------------------------------------------------------------- /website/templates/setup_backup.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/setup_backup.html -------------------------------------------------------------------------------- /website/templates/setup_experiment.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/setup_experiment.html -------------------------------------------------------------------------------- /website/templates/sign_up.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/sign_up.html -------------------------------------------------------------------------------- /website/templates/tutorial.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/tutorial.html -------------------------------------------------------------------------------- /website/templates/upload.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/upload.html -------------------------------------------------------------------------------- /website/templates/video_tutorial.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/video_tutorial.html -------------------------------------------------------------------------------- /website/templates/view_dataset.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/view_dataset.html -------------------------------------------------------------------------------- /website/templates/view_experiment.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ImperialCollegeLondon/webBO/HEAD/website/templates/view_experiment.html --------------------------------------------------------------------------------