Contents
chemical-science
Fingerprints on fingertips • Feb 23, 2023
Classifying reactions using machine-learning • Feb 23, 2023
Auto3D to make optimize tautomers and 3D conformers • Jan 16, 2023
Small Molecules Resources • Dec 28, 2022
Cheminformatics basics - Clustering molecules • Nov 20, 2022
Cheminformatics basics - Why the SMIRKS? • Aug 31, 2022
Cheminformatics basics - A SMARTS way to filter molecules • Jan 10, 2022
On machine learning model interpretability • Dec 5, 2021
Rdkit quick tips • Oct 10, 2021
Model building checklist • Sep 10, 2021
Material-informatics Literature and Resources • May 21, 2021
Cheminformatics basics - RDkit, regression models, similarity • May 11, 2021
Mateiral informatics sample project • Apr 28, 2021
Get SMILES from PubChem using DASK • Sep 18, 2020
data-analysis
Fingerprints on fingertips • Feb 23, 2023
Classifying reactions using machine-learning • Feb 23, 2023
Auto3D to make optimize tautomers and 3D conformers • Jan 16, 2023
Cheminformatics basics - Clustering molecules • Nov 20, 2022
Cheminformatics basics - Why the SMIRKS? • Aug 31, 2022
Cheminformatics basics - A SMARTS way to filter molecules • Jan 10, 2022
Exploratory Data Analysis on Behavioral Risk Factor Surveillance System (BRFSS) dataset • May 23, 2021
Cheminformatics basics - RDkit, regression models, similarity • May 11, 2021
Anamoly detection using autoencoders • Mar 18, 2021
Solving the birthday problem using simple counting • Jan 10, 2021
Central limit theorem • Dec 21, 2020
Transfer learning walkthrough using Pytorch • Oct 19, 2020
Get SMILES from PubChem using DASK • Sep 18, 2020
Convolutional neural network example • Mar 17, 2020
Principal component analysis • Sep 7, 2019
Neural network implementation in PyTorch • Aug 13, 2019
data-visualization
Making equal spaces parity plots using Matplotlib • Apr 8, 2021
t-SNE and UMAP - Effect of initialization on the dimensionality reduction • Feb 3, 2021
Relational analysis of spices used in Indian cuisine • Dec 9, 2020
S&P 500 analysis using beautifulsoup and pandas • Aug 1, 2020
Plotting surface in matplotlib • Jul 18, 2020
exploratory-data-analysis
On machine learning model interpretability • Dec 5, 2021
Rdkit quick tips • Oct 10, 2021
Model building checklist • Sep 10, 2021
Resources list • Jun 25, 2021
Pandas cookbook • Jun 13, 2021
Relational analysis of spices used in Indian cuisine • Dec 9, 2020
Analyze Bollywood movie ratings (1950-2020) • Aug 23, 2020
S&P 500 analysis using beautifulsoup and pandas • Aug 1, 2020
End-to-end Machine Learning Project • Aug 2, 2019
machine-learning
Small Molecules Resources • Dec 28, 2022
On machine learning model interpretability • Dec 5, 2021
Rdkit quick tips • Oct 10, 2021
Model building checklist • Sep 10, 2021
Resources list • Jun 25, 2021
Pandas cookbook • Jun 13, 2021
Material-informatics Literature and Resources • May 21, 2021
Mateiral informatics sample project • Apr 28, 2021
Anamoly detection using autoencoders • Mar 18, 2021
Implement neural network from scratch for binary classification • Feb 5, 2021
Bayesian optimisation implementation • Jan 27, 2021
Estimating prediction confidence through dropout • Jan 11, 2021
Network analysis hands-on • Nov 8, 2020
Transfer learning walkthrough using Pytorch • Oct 19, 2020
Classification-based algorithms walkthrough • Aug 12, 2020
Plotting surface in matplotlib • Jul 18, 2020
Activation functions • Apr 22, 2020
Convolutional neural network example • Mar 17, 2020
Implement Support Vector Machines in scikit-learn • Feb 19, 2020
Vectorisation in python using numpy • Oct 11, 2019
Neural network implementation in PyTorch • Aug 13, 2019
End-to-end Machine Learning Project • Aug 2, 2019
markdown
An Example Markdown Post • Jan 14, 2020
python
Fingerprints on fingertips • Feb 23, 2023
Classifying reactions using machine-learning • Feb 23, 2023
Auto3D to make optimize tautomers and 3D conformers • Jan 16, 2023
Cheminformatics basics - Clustering molecules • Nov 20, 2022
Cheminformatics basics - Why the SMIRKS? • Aug 31, 2022
Cheminformatics basics - A SMARTS way to filter molecules • Jan 10, 2022
Exploratory Data Analysis on Behavioral Risk Factor Surveillance System (BRFSS) dataset • May 23, 2021
Cheminformatics basics - RDkit, regression models, similarity • May 11, 2021
Mateiral informatics sample project • Apr 28, 2021
Making equal spaces parity plots using Matplotlib • Apr 8, 2021
Anamoly detection using autoencoders • Mar 18, 2021
Implement neural network from scratch for binary classification • Feb 5, 2021
t-SNE and UMAP - Effect of initialization on the dimensionality reduction • Feb 3, 2021
Bayesian optimisation implementation • Jan 27, 2021
Estimating prediction confidence through dropout • Jan 11, 2021
Solving the birthday problem using simple counting • Jan 10, 2021
Central limit theorem • Dec 21, 2020
Relational analysis of spices used in Indian cuisine • Dec 9, 2020
Network analysis hands-on • Nov 8, 2020
Transfer learning walkthrough using Pytorch • Oct 19, 2020
Get SMILES from PubChem using DASK • Sep 18, 2020
Analyze Bollywood movie ratings (1950-2020) • Aug 23, 2020
Classification-based algorithms walkthrough • Aug 12, 2020
S&P 500 analysis using beautifulsoup and pandas • Aug 1, 2020
Plotting surface in matplotlib • Jul 18, 2020
Activation functions • Apr 22, 2020
Convolutional neural network example • Mar 17, 2020
Implement Support Vector Machines in scikit-learn • Feb 19, 2020
Vectorisation in python using numpy • Oct 11, 2019
Lambda, Filter, and Map functions in Python • Oct 4, 2019
Principal component analysis • Sep 7, 2019
Neural network implementation in PyTorch • Aug 13, 2019
End-to-end Machine Learning Project • Aug 2, 2019
pytorch
Implement neural network from scratch for binary classification • Feb 5, 2021
Estimating prediction confidence through dropout • Jan 11, 2021
Activation functions • Apr 22, 2020
resources
Small Molecules Resources • Dec 28, 2022
On machine learning model interpretability • Dec 5, 2021
Rdkit quick tips • Oct 10, 2021
Model building checklist • Sep 10, 2021
Resources list • Jun 25, 2021
Pandas cookbook • Jun 13, 2021
Material-informatics Literature and Resources • May 21, 2021
web-scrapping
Relational analysis of spices used in Indian cuisine • Dec 9, 2020
Analyze Bollywood movie ratings (1950-2020) • Aug 23, 2020
S&P 500 analysis using beautifulsoup and pandas • Aug 1, 2020