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Abdulmujeeb Toluwase Onawole's Projects

avogadro icon avogadro

Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

best-of-ml-python icon best-of-ml-python

🏆 A ranked list of awesome machine learning Python libraries. Updated weekly.

calcus icon calcus

Computational Chemistry Web Platform

cgcnn icon cgcnn

Crystal graph convolutional neural networks for predicting material properties.

chemplot icon chemplot

A python package for chemical space visualization.

chemprop icon chemprop

Message Passing Neural Networks for Molecule Property Prediction

chemputersoftware icon chemputersoftware

Software for running the Chemputer in association with the supporting publication in Science

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

covid icon covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

deep-learning-in-production icon deep-learning-in-production

In this repository, I will share some useful notes and references about deploying deep learning-based models in production.

deepchem icon deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deeplearningproject icon deeplearningproject

An in-depth machine learning tutorial introducing readers to a whole machine learning pipeline from scratch.

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