Cloud-Based Real-Time Molecular Screening Platform with MolFormer. (arXiv:2208.06665v1 [cs.LG])

With the prospect of automating a number of chemical tasks with high
fidelity, chemical language processing models are emerging at a rapid speed.
Here, we present a cloud-based real-time platform that allows users to
virtually screen molecules of interest. For this purpose, molecular embeddings
inferred from a recently proposed large chemical language model, named
MolFormer, are leveraged. The platform currently supports three tasks: nearest
neighbor retrieval, chemical space visualization, and property prediction.
Based on the functionalities of this platform and …

arxiv cloud cloud-based lg platform real-time time