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DenovoProfiling
DenovoProfiling PublicDenovoProfiling: a webserver for de novo generated molecule library profiling.
JavaScript 3
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mol2vec
mol2vec PublicForked from samoturk/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Python 1
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neural-fingerprint
neural-fingerprint PublicForked from skearnes/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
TeX 1
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reinvent-scaffold-decorator
reinvent-scaffold-decorator PublicForked from undeadpixel/reinvent-scaffold-decorator
A SMILES-based encoder-decoder architecture for molecular scaffold decoration
Python 1
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