├── .gitattributes ├── CHE596_PPT.pdf ├── clean_data.ipynb ├── data ├── noduplicates.csv ├── solubility.csv ├── solubility_aqsoldb.tab ├── test.csv ├── train.csv └── with_features.csv ├── generate_features.ipynb ├── get_data.ipynb ├── models ├── model.joblib ├── scale_x.pkl └── scale_y.pkl ├── readme.md ├── requirements.txt ├── train_model.ipynb └── with_chemml.ipynb /.gitattributes: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/.gitattributes -------------------------------------------------------------------------------- /CHE596_PPT.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/CHE596_PPT.pdf -------------------------------------------------------------------------------- /clean_data.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/clean_data.ipynb -------------------------------------------------------------------------------- /data/noduplicates.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/noduplicates.csv -------------------------------------------------------------------------------- /data/solubility.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/solubility.csv -------------------------------------------------------------------------------- /data/solubility_aqsoldb.tab: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/solubility_aqsoldb.tab -------------------------------------------------------------------------------- /data/test.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/test.csv -------------------------------------------------------------------------------- /data/train.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/train.csv -------------------------------------------------------------------------------- /data/with_features.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/data/with_features.csv -------------------------------------------------------------------------------- /generate_features.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/generate_features.ipynb -------------------------------------------------------------------------------- /get_data.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/get_data.ipynb -------------------------------------------------------------------------------- /models/model.joblib: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/models/model.joblib -------------------------------------------------------------------------------- /models/scale_x.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/models/scale_x.pkl -------------------------------------------------------------------------------- /models/scale_y.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/models/scale_y.pkl -------------------------------------------------------------------------------- /readme.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/readme.md -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/requirements.txt -------------------------------------------------------------------------------- /train_model.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/train_model.ipynb -------------------------------------------------------------------------------- /with_chemml.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aditya1707/ML_StarterKit_CHE596/HEAD/with_chemml.ipynb --------------------------------------------------------------------------------