4 papers
A method for constructing the joint mass function of binary stars
Amery Gration, Robert G. Izzard, Payel Das
The initial mass function (IMF) describes the distribution of stellar masses in a population of newly born stars and is amongst the most fundamental concepts in astrophysics. It is…
GP-MoLFormer-Sim: Test Time Molecular Optimization through Contextual Similarity Guidance
Jiri Navratil, Jarret Ross, Payel Das +4
The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology…
GP-MoLFormer: A Foundation Model For Molecular Generation
Jerret Ross, Brian Belgodere, Samuel C. Hoffman +4
Transformer-based models trained on large and general purpose datasets consisting of molecular strings have recently emerged as a powerful tool for successfully modeling various st…
Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond
Kehan Guo, Yili Shen, Gisela Abigail Gonzalez-Montiel +8
The rapid advent of machine learning (ML) and artificial intelligence (AI) has catalyzed major transformations in chemistry, yet the application of these methods to spectroscopic a…