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1. dockstring dockstring Public

   A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.

   Python 177 31

2. benchmarks benchmarks Public

   Official repository for dockstring-based benchmarks.

   Jupyter Notebook 6 1

3. dataset dataset Public

   Code to help download and extract the dockstring dataset.

   Jupyter Notebook 4 1

4. experiments-from-paper experiments-from-paper Public

   Baselines for dockstring benchmarks

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5. dockstring.github.io dockstring.github.io Public

   Website for dockstring

   JavaScript