DeepDockingGUI
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2021-08-04
22:42:07
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DeepDockingGUI （143个子文件） 
install-windows.bat 129B oldSchool.css 20KB .gitignore 405B
mainPage.html 24KB test.html 3KB login.html 1KB bundle.js 1.47MB startarun.js 18KB models.js 17KB progress.js 8KB basics.js 6KB topScoring.js 4KB login.js 3KB webpack.config.js 2KB test.js 641B index.js 182B package-lock.json 647KB package.json 2KB settings.json 276B LICENSE 1KB bundle.js.map 2.55MB README.md 11KB README.md 516B README.md 116B README.md 63B
top_scoring_full.png 327KB new_project_info.png 309KB models_full.png 199KB start_a_run_full.png 188KB Progress.png 162KB Monitor.png 151KB progress_full.png 127KB login_screen.png 51KB DDGUI-DD.png 45KB d2d023bf09910fa13a8d59977bad92dd.png 10KB 8a9e1648449beda9d58190f1bc4a749e.png 8KB 0638bec8443dd6e3385084884ed644a2.png 5KB 2a9beabef112cd5d9b57edafe04ecd82.png 435B 00b42403057e60520cb497d92556b982.png 427B 1f0710a4a9c764c4801a6b0bbd1f6744.png 407B c2e5bc8f9058ad350eed2e2559c63174.png 403B d3698da8e2bda9d79e1bb514e2d600fa.png 351B backend.py 33KB progressive_docking.py 21KB process_gui_data.py 21KB install.py 16KB server.py 16KB DDModel.py 15KB Extracting_smiles.py 13KB hyperparameter_result_evaluation.py 12KB cluster_commands.py 11KB slurm_job_manager.py 11KB Models.py 10KB simple_job_models.py 10KB slurm_file_manager.py 6KB overloaded_final_extraction.py 6KB DataHistory.py 6KB sampling.py 6KB Extract_labels.py 5KB transformer_layers.py 5KB Extracting_morgan.py 5KB Prediction_morgan_1024.py 5KB phase_changer.py 5KB EmailBot.py 4KB optimize_models.py 4KB DDMetrics.py 4KB fast_top_hit_search.py 4KB DDCallbacks.py 4KB Parser.py 4KB model_tuner.py 4KB data_generator.py 3KB final_extraction.py 3KB molecular_file_count_updated.py 3KB backend_sanity_check.py 3KB EventHandler.py 3KB setup_slurm_specifications.py 3KB Tokenizer.py 3KB generate_images.py 3KB sanity_check.py 3KB reset.py 3KB simple_job_predictions.py 2KB auto_ssh.py 2KB morgan_fp.py 2KB jobid_writer.py 1KB load_data.py 1KB ProgressBar.py 1KB util_functions.py 1KB utils.py 869B DDModelExceptions.py 706B check_phase.py 601B lasso_regularizer.py 538B backend_exceptions.py 424B __init__.py 183B split_sdf.py 148B __init__.py 124B venv_sanity_check.py 114B __init__.py 79B __init__.py 77B __init__.py 37B __init__.py 1B共 143 条
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