implement ROGI
UnixJunkie opened this issue · comments
Roughness of Molecular Property Landscapes and Its Impact on Modellability
https://pubs.acs.org/doi/full/10.1021/acs.jcim.2c00903
MolEnc: a molecular encoder using rdkit and OCaml.
UnixJunkie opened this issue · comments
Roughness of Molecular Property Landscapes and Its Impact on Modellability
https://pubs.acs.org/doi/full/10.1021/acs.jcim.2c00903