import datamol as dmfrom molfeat.calc import RDKitDescriptors2Ddata = dm.data.freesolv().sample(500).smiles.valuesmol2d = datacalc = RDKitDescriptors2D()calc(mol2d)
What is molfeat?
molfeat is an open-source hub that makes it easy for ML scientists to evaluate and implement a wide range of molecular featurizers. Find the right featurizer for your workflow today.
This is a GPT2 style autoregressive language model trained on ~480m SMILES strings from the ZINC database available. The model has ~87m parameters and was trained for 175000 iterations with a batch size of 3072 to a validation loss of ~.615.