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1. microsoft/syntheseus microsoft/syntheseus Public

   Package for Retrosynthetic Planning

   Python 193 33

2. microsoft/retrochimera microsoft/retrochimera Public

   RetroChimera: a frontier retrosynthesis model built on ensembling

   Python 24 1

3. microsoft/molecule-generation microsoft/molecule-generation Public

   Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

   Python 323 47

4. microsoft/FS-Mol microsoft/FS-Mol Public

   FS-Mol is A Few-Shot Learning Dataset of Molecules, containing molecular compounds with measurements of activity against a variety of protein targets. The dataset is presented with a model evaluati…

   Python 174 26