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flamingo

Compute and filter molecular properties for quantum dot ligands

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contributor

Cite this software

What flamingo can do for you

  • Compute quantum chemistry properties with minimal configuration
  • Fast screening of candidates based on inexpensive molecular properties
  • Store results in HDF5

Flamingo allows screening hundreds of thousands of smiles in a short time by filtering the candidates using as criteria the presence (of absence) of different functional molecular groups or the numerical value of molecular properties like the synthesizability score, drug-likeness, etc.

Keywords
Programming language
  • Python 100%
License
  • Apache-2.0
</>Source code

Participating organisations

Netherlands eScience Center

Contributors

Contact person

Felipe Zapata

Felipe Zapata

Netherlands eScience Center
Mail Felipe
Felipe Zapata
Felipe Zapata
Netherlands eScience Center

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