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basic-programming-in-drug-discovery
basic-programming-in-drug-discovery PublicForked from lacdr-tox/basic-programming-in-drug-discovery
Course materials for basic programming in drug discovery
Jupyter Notebook
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Literature
Literature PublicForked from jiachengxiong/Literature
Recent application of graph neural network in drug discovery
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DrugDiscoveryUsingML
DrugDiscoveryUsingML PublicForked from SuhailSumra/DrugDiscoveryUsingML
Jupyter Notebook
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DeePred-BBB
DeePred-BBB PublicForked from 12rajnish/DeePred-BBB
DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecular Input Line Entry System (SMILES) notation of Compounds.
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Deep-Drug-Coder
Deep-Drug-Coder PublicForked from pcko1/Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
Python
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RDkitTutorial
RDkitTutorial PublicForked from isidroc/RDkitTutorial
Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive modeling
Python
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