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Update benchmarks scripts to run entire protein-ligand benchmarks set #1183

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jchodera opened this issue Apr 18, 2023 · 1 comment

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benchmarking effort: medium

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jchodera commented Apr 18, 2023

The scripts in https://github.com/choderalab/perses/tree/main/benchmarks currently only run a single transformation; we should add automation to run the entire benchmark set and produce analyses.

jchodera added benchmarking effort: medium labels

jchodera assigned ijpulidos

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jchodera commented Apr 18, 2023

Tagging @yuanqing-wang @kntkb who need this.

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