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  • MIT Chemical Engineering
  • Cambridge, MA

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Python 36 2 Updated Jan 11, 2025

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

Python 80 7 Updated Jun 25, 2024
Jupyter Notebook 63 17 Updated May 25, 2021

Baselines models for GuacaMol benchmarks

Python 137 33 Updated Feb 16, 2024
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