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The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.

License: MIT License

Python 0.01% HTML 100.00%

ani1x_datasets's Introduction

Hi there, Rahul Here 👋

😄 I come from a bioinforamtics background, but have an interest in drug discovery with the application of machine learning algorithms, bioinformatics, chemoinformatics and general hackery.

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