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alirezadir / Machine-Learning-Interviews

This repo is meant to serve as a guide for Machine Learning/AI technical interviews.

Jupyter Notebook 7,127 1,289 Updated Jun 23, 2025

dreadlesss / rdkit_summary

rdkit总结与实践

Jupyter Notebook 243 96 Updated Jul 12, 2020

t7morgen / misato-dataset

Jupyter Notebook 222 25 Updated Sep 9, 2024

Liu-group / XACs

Code for "Can Graph Neural Network Learn to Explain Activity Cliffs?"

Jupyter Notebook 3 1 Updated May 31, 2025