Publications from Symplectic

Publications Listing

  • BOKEI: Bayesian optimization using knowledge of correlated torsions and expected improvement for conformer generation.

  • Learning from the ligand: using ligand-based features to improve binding affinity prediction.

  • BOKEI: Bayesian Optimization Using Knowledge of Correlated Torsions and Expected Improvement for Conformer Generation​

  • BOKEI: Bayesian Optimization Using Knowledge of Correlated Torsions and Expected Improvement for Conformer Generation​

  • Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.

  • More
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