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albumentations

fast image augmentation library and easy to use wrapper around other libraries

arxiv-sanity-preserver

Web interface for browsing, search and filtering recent arxiv submissions

awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

awesome-computer-vision

A curated list of awesome computer vision resources

awesome-machine-learning-interpretability

A curated list of awesome machine learning interpretability resources.

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

chemixnet

Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations

constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

cubenet

3D Roto-translation equivariant convolutions

data-science--cheat-sheet

Cheat Sheets

data-science-utils

Lots of useful functions over Pandas and Python Numpy for Data Science

deep-learning-notebooks

Collection of my implementations of various papers and the stuff I like.

deepdta

deeplearningexamples

Deep Learning Examples

deeplocalproteindocking

Learning protein representation for rigid-body docking

deeprec

An Open-source Toolkit for Deep Learning based Recommendation with Tensorflow.

deltavina

DeltaVina scoring function

deltavinaxgb

This is a machine-learning based protein-ligand scoring function.

e3fp

3D molecular fingerprints

e3nn

education

Materials for my lectures and for self-study in machine learning

embeddings_reproduction

fastbook

Draft of the fastai book

google-research

Google AI Research

groupnormalization-tensorflow-keras

a Tensorflow implementation of Group Normalizations

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

icoloscommunity

Repository contains jupyter notebooks illustrating the use of the Icolos workflow manager

interpret

Fit interpretable machine learning models. Explain blackbox machine learning.

interpretable_machine_learning_with_python

Practical techniques for training interpretable ML models, explaining ML models, and debugging ML models.

kaggle-ensemble-guide

Code for the Kaggle Ensembling Guide Article on MLWave