inductive-bio

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1. strong-docking-baseline strong-docking-baseline Public archive

   Code accompanying our blog post on a stronger docking baseline for Alpha Fold 3 docking

   Python 23 3

2. building-better-benchmarks-blog building-better-benchmarks-blog Public archive

   Code accompanying our blog post on building better benchmarks for ADME optimization

   Jupyter Notebook 8 1

3. antiviral-competition-baselines antiviral-competition-baselines Public

   Baseline models for the antiviral competition hosted by Polaris, ASAP, and OpenADMET

   Python 4

4. ketcher ketcher Public archive

   Forked from epam/ketcher

   Web-based molecule sketcher

   TypeScript

5. ml-embedding-benchmark ml-embedding-benchmark Public

   Code to reproduce "A Latent Ability Model for Benchmarking Molecular Representations"

   Jupyter Notebook