ellynpeters

Pinned Repositories

• kraken

  Code to compute electronic and steric features to create a database of ligands and their properties

  Language:Python13703

• Multiobjective_Optimization

  10.26434/chemrxiv-2022-qqxd1

  Language:Jupyter Notebook7102

• Ni_stereoconvergent_coupling

  Code for https://pubs.acs.org/doi/full/10.1021/jacs.1c08399

  Language:Jupyter Notebook1000

• PHOSS-ligand-set-design

  Language:Jupyter Notebook2000

• Threshold

  Python tool to assess data for single-parameter thresholds

  Language:Jupyter Notebook7102

• umap_baran_mediators

  Code for J. Am. Chem. Soc. 2021, 143, 20, 7859–7867

  Language:Jupyter Notebook10

ellynpeters's Repositories