Translation between Molecules and Natural Language

Benchmark Model Rank Results
molecule-captioning-on-l-m-24MolT5-Large#3BLEU-2: 76.9BLEU-4: 55.6ROUGE-1: 77.7ROUGE-2: 58.0ROUGE-L: 55.7…
molecule-captioning-on-l-m-24MolT5-Base#4BLEU-2: 73.8BLEU-4: 53.5ROUGE-1: 75.0ROUGE-2: 55.9ROUGE-L: 53.9…
molecule-captioning-on-l-m-24MolT5-Small#5BLEU-2: 70.9BLEU-4: 51.2ROUGE-1: 74.5ROUGE-2: 55.8ROUGE-L: 54.4…
text-based-de-novo-molecule-generation-on-text2molMolT5-Large#5BLEU: 85.4Exact Match: 30.2Frechet ChemNet Distance (FCD): 1.20…
text-based-de-novo-molecule-generation-on-text2molMolT5-Large-HV#11BLEU: 81.0Exact Match: 31.4Frechet ChemNet Distance (FCD): 0.44…
text-based-de-novo-molecule-generation-on-text2molMolT5-base#14BLEU: 76.9Exact Match: 8.1Frechet ChemNet Distance (FCD): 2.18…
text-based-de-novo-molecule-generation-on-text2molMolT5-small#16BLEU: 75.5Exact Match: 7.9Frechet ChemNet Distance (FCD): 2.49…
molecule-captioning-on-chebi-20MolT5-Large#16BLEU-2: 59.4BLEU-4: 50.8METEOR: 61.4ROUGE-1: 65.4ROUGE-2: 51.0…
molecule-captioning-on-chebi-20MolT5-Base#27BLEU-2: 54.0BLEU-4: 45.7METEOR: 56.9ROUGE-1: 63.4ROUGE-2: 48.5…
molecule-captioning-on-chebi-20MolT5-Small#30BLEU-2: 51.9BLEU-4: 43.6METEOR: 55.1ROUGE-1: 62.0ROUGE-2: 46.9…