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UnixJunkie / molenc

MolEnc: a molecular encoder using rdkit and OCaml.
BSD 3-Clause "New" or "Revised" License
19 stars 2 forks source link

SMILEYS encoder / decoder #114

Closed UnixJunkie closed 1 year ago

UnixJunkie commented 2 years ago

Probably easier to do the encoder in python/rdkit; reading from SMILES.

Once the encoder is working, work on the decoder.

UnixJunkie commented 2 years ago
UnixJunkie commented 1 year ago

I don't have the biblio ref for this one anymore