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Search results for jupyter notebook qsar

jupyter-notebook x

7 search results found

Deeppurpose ⭐ 826

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

Release ⭐ 232

Deep Reinforcement Learning for de-novo Drug Design

Chemical_representation_learning_for_toxicity_prediction ⭐ 38

Chemical representation learning paper in Digital Discovery

A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.

Qsprpred ⭐ 14

A tool for creating Quantitative Structure Property Relationship (QSPR) models.

Spectrafp ⭐ 7

A package to perform fingerprints from spectroscopy datas.

Sars Cov Mpro ⭐ 5

QSAR models and putative agents identified against SARS-CoV-2

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