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seyonechithrananda
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bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
MIT License
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add methods for generating embeddings
#33
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schithranandanurix
closed
3 years ago
schithranandanurix
commented
3 years ago
add transformer embedding methods
add hdbsan
add method to compute ecfp descriptors + filter salts from reverie tutorial