{"metadata":{"kernelspec":{"language":"python","display_name":"Python 3","name":"python3"},"language_info":{"pygments_lexer":"ipython3","nbconvert_exporter":"python","version":"3.6.4","file_extension":".py","codemirror_mode":{"name":"ipython","version":3},"name":"python","mimetype":"text/x-python"},"kaggle":{"accelerator":"nvidiaTeslaT4","dataSources":[{"sourceType":"competition","sourceId":118765,"databundleVersionId":15231210}],"dockerImageVersionId":31287,"isInternetEnabled":true,"language":"python","sourceType":"notebook","isGpuEnabled":true}},"nbformat_minor":4,"nbformat":4,"cells":[{"cell_type":"code","source":"%%writefile requirements.txt\nbiotite\nrdkit\nbiopython\nbiopandas\ntorch\npytorch-lightning\ndm-tree\nrequests\neinops\neinx\nmashumaro\nclick\npyyaml\nscipy\nnumba\ngemmi\nscikit-learn\nchembl_structure_pipeline\n","metadata":{"_uuid":"8f2839f25d086af736a60e9eeb907d3b93b6e0e5","_cell_guid":"b1076dfc-b9ad-4769-8c92-a6c4dae69d19","trusted":true},"outputs":[],"execution_count":null},{"cell_type":"code","source":"! python -m pip download --destination-directory . -r requirements.txt","metadata":{"trusted":true},"outputs":[],"execution_count":null}]}