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Learning Deep Representations of Data Distributions

Friends don't let friends make certain types of data visualization - What are they and why are they bad.

Code for "Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy"

2026 AI/ML internship & new graduate job list updated daily

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

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

rdkit总结与实践

2021年最新总结，推荐工程师合适读本，计算机科学，软件技术，创业，思想类，数学类，人物传记书籍

Visualizing the network of math theories.

Descriptor computation(chemistry) and (optional) storage for machine learning

Introduction to Machine Learning Systems

GraphFramEx: a systematic evaluation framework for explainability methods on GNNs

Transfer learning / domain adaptation / domain generalization / multi-task learning etc. Papers, codes, datasets, applications, tutorials.-迁移学习

A collection of Hyper parameter tuning library.

Paper list for equivariant neural network

A library for graph deep learning research

C++ Programming Tutorial in Chemistry