activity
20232026
most citedGP-MoLFormer: A Foundation Model For Molecular Generation

11 citations · 21 across the 6 of their papers we have counts for

collaborators

6 papers

astro-ph.SR2026

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…

cs.LG2025

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…

cs.AI2025★ 7 cited

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…

q-bio.BM2024★ 11 cited

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…

cs.LG2024★ 2 cited

Boundary Exploration for Bayesian Optimization With Unknown Physical Constraints

Yunsheng Tian, Ane Zuniga, Xinwei Zhang +5

Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, i…

cs.CL2023★ 1 cited

Keeping Up with the Language Models: Systematic Benchmark Extension for Bias Auditing

Ioana Baldini, Chhavi Yadav, Manish Nagireddy +2

Bias auditing of language models (LMs) has received considerable attention as LMs are becoming widespread. As such, several benchmarks for bias auditing have been proposed. At the…