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GuacaMol Baselines

An installable fork of guacamol_baselines, a series of baseline model implementations for the guacamol benchmark for generative chemistry (distributed MIT license).

An in depth explanation of the benchmarks and scores for these baselines can be found here.

Installation

pip install git+https://github.com/GT4SD/guacamol_baselines.git

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Baselines models for GuacaMol benchmarks

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  • Python 99.4%
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