projects

Projects to develop programming, data analysis and cheminformatics skills.

Name		Name	Last commit message	Last commit date
Latest commit History 26 Commits
Adversarial validation.ipynb		Adversarial validation.ipynb
Bayes_Error_Rate_Estimation.ipynb		Bayes_Error_Rate_Estimation.ipynb
Comparing classification models.ipynb		Comparing classification models.ipynb
Data splits.ipynb		Data splits.ipynb
Dimensionality reduction on molecular fingerprints for chemical space representation.ipynb		Dimensionality reduction on molecular fingerprints for chemical space representation.ipynb
Machine_learning_to_classify_energetic_materials.ipynb		Machine_learning_to_classify_energetic_materials.ipynb
Open_Bioinformatics_Research_Project.ipynb		Open_Bioinformatics_Research_Project.ipynb
README.md		README.md
R_REACT.ipynb		R_REACT.ipynb
comparing_fingerprint_bits.ipynb		comparing_fingerprint_bits.ipynb
my-rdkit-env.yml		my-rdkit-env.yml
rule_of_0_5.ipynb		rule_of_0_5.ipynb
standardize.py		standardize.py

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