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1. E2E_ML_project E2E_ML_project Public

   This deals with EDA and building various ML models using sklearn: KNeighborsRegressor DecisionTreeRegressor RandomForestRegressor,AdaBoostRegressor LinearRegression, Ridge,Lasso, etc and HP using r…

   Jupyter Notebook 1

2. ML_with_nextflow_poc ML_with_nextflow_poc Public

   It is POC project, using Nextflow to run ML pipeline

   Nextflow 1

3. molpro molpro Public

   Forked from boltzmannlabs/molpro

   MolPro is a comprehensive python package for small molecule generation using protein active site or/and similar molecules using 3D information of molecules with in-silico validation of molecules by…

   Python 2

4. Exploring_QSAR_from_data_curation_to_SAR Exploring_QSAR_from_data_curation_to_SAR Public

   Exploring QSAR: From Data Collection to Structure-Activity Relationship Analysis

   Jupyter Notebook 1

5. Nextflow_tutorials Nextflow_tutorials Public

   Introduction to Bioinformatics workflows with Nextflow

   Nextflow

6. Mechanisms-of-Action-MoA-Prediction Mechanisms-of-Action-MoA-Prediction Public

   Mechanisms of Action (MoA) Prediction

   Jupyter Notebook