binghong-ml

Binghong Chen's repositories

Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

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Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"

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Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

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Learning to plan with NEXT

Template-free prediction of organic reaction outcomes

Language:Jupyter NotebookGPL-3.0100

Message Passing Neural Networks for Molecule Property Prediction

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Google Research

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mol_finder

Language:PythonBSD-2-Clause000

Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)

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Language:PythonMIT000