CheML

An ML repository for cheminformatics.

To try the ML Chemotaxis tutorials, please create a conda environment using:

conda env create -f CheML.yaml

Name		Name	Last commit message	Last commit date
Latest commit History 12 Commits
data		data
tools		tools
.gitignore		.gitignore
CheML.yaml		CheML.yaml
ML_chemotaxis_e_coli_part1_Data_Processing.ipynb		ML_chemotaxis_e_coli_part1_Data_Processing.ipynb
ML_chemotaxis_e_coli_part2_Lazypredict.ipynb		ML_chemotaxis_e_coli_part2_Lazypredict.ipynb
ML_chemotaxis_e_coli_part3_Hyperparameter_tuning.ipynb		ML_chemotaxis_e_coli_part3_Hyperparameter_tuning.ipynb
ML_chemotaxis_e_coli_part4_Training.ipynb		ML_chemotaxis_e_coli_part4_Training.ipynb
ML_chemotaxis_e_coli_part5_Prediction.ipynb		ML_chemotaxis_e_coli_part5_Prediction.ipynb
README.md		README.md

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