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Releases: GLambard/SMILES-X

SMILES-X v1.0

24 Oct 07:22
@GLambard GLambard
1.0
290cf9f
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SMILES-X is an autonomous pipeline that finds the best neural architectures to predict a physicochemical property from molecular SMILES only (see OpenSMILES). No human-engineered descriptors are needed. The SMILES-X has been specially designed for small datasets (from a few hundred to a few thousands of samples).

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