ABorrel's starred repositories

multitask_impute

Supplementary code for 'Deep Learning Imputation for Multi Task Learning'

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deepchem

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

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conformal-prediction

Lightweight, useful implementation of conformal prediction on real data.

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scientific_python_training

scientific python training with pandas, scipy, and scikit-learn

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RSC_OpenScience_Standardization_202104

Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series

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awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

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ProDy

A Python Package for Protein Dynamics Analysis

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