预测ABO3-结构
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2021-02-26
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predicting-ABO3-structures-master.zip （73个子文件） 
predicting-ABO3-structures-master 
test_environment.py 632B notebooks 03-supervisedModels-notebook.ipynb 53KB 02-generateTestData-notebook.ipynb 27KB 01-preprocessing-notebook.ipynb 3.99MB 04-meshgridAnalysis-notebook.ipynb 9.76MB README.md 601B .gitkeep 0B prototype-unsupervisedModels.ipynb 3.52MB references .gitkeep 0B models cubic-perovskite .gitkeep 0B .gitkeep 0B perovskite RF .pkl 995KB RF over.pkl 1.1MB GB under.pkl 35KB GB .pkl 47KB RF under.pkl 719KB .gitkeep 0B RF both.pkl 360KB GB over.pkl 23KB GB both.pkl 47KB back-up 03-supervisedModels-notebook.ipynb 4.21MB 04-meshgridAnalysis-notebook.ipynb 9.76MB README.md 598B prototype-unsupervisedModels.ipynb 3.52MB data raw 625unlabeledABO3.csv 17KB 390ABO3.csv 22KB processed data.csv 22KB target.csv 782B X.csv 17KB 625TestData.csv 46KB summary 625UnsupervisedPredictions.csv 6KB 625SupervisedPredictions.csv 40KB 01-generateData-notebook.ipynb 28KB 02-preprocessing-notebook.ipynb 3.98MB src models predict_model.py 356B train_model.py 7KB __init__.py 0B .gitkeep 0B __init__.py 0B features __init__.py 0B .gitkeep 0B build_features.py 1KB data __init__.py 0B .gitkeep 0B make_dataset.py 1008B visualization __init__.py 0B visualize.py 7KB .gitkeep 0B reports figures .gitkeep 0B .gitkeep 0B
requirements.txt 2KB LICENSE 1KB setup.py 246B README.md 3KB Makefile 5KB data raw .gitkeep 0B external 625unlabeledABO3.csv 17KB .gitkeep 0B 390ABO3.csv 22KB processed data.csv 22KB target.csv 782B .gitkeep 0B X.csv 17KB 625TestData.csv 44KB summary 625UnsupervisedPredictions.csv 6KB 625SupervisedPredictions.csv 40KB docs make.bat 5KB getting-started.rst 256B conf.py 8KB index.rst 463B Makefile 6KB commands.rst 489B .gitignore 2KB资源评论
