All Competitors

Chemical language model for small-molecule drug discovery, embedding SMILES for property prediction and sampling new molecules from its latent space.

Drug repurposing model that predicts a compound's L1000 transcriptional signature from SMILES and ranks it against a disease gene signature.

Self-supervised molecular graph model contrastively pretrained on ~10M unlabeled PubChem molecules, then fine-tuned for property prediction.

Chemical language model pretrained on up to 77 million PubChem SMILES strings for molecular property prediction on the MoleculeNet benchmarks.

RNA virtual screening that reads a binding site's base-pairing graph and predicts the chemical fingerprint of its ligand to rank compound libraries.

Molecular graph transformer pretrained on 11 million unlabelled compounds, used as a frozen fingerprint source or fine-tuned for property prediction.

Molecular descriptor model that embeds compounds into a continuous 512-dimensional space by translating between equivalent chemical line notations.