molecular-size

There are 0 repository under molecular-size topic.

• andrewtarzia / mol-ellipsize

  Molecular size calculation based on ellipsoid fitting over N conformers

  chemistrymoleculesmolecular-sizehigh-throughputrdkit
  Language:TeX 13

• andrewtarzia / enzyme_screen

  Molecular size calculations for enzyme reaction screening in metal--organic frameworks

  enzymesscreeningmofsmolecular-size
  Language:Jupyter Notebook 1