2 citations · 4 across the 6 of their papers we have counts for
4 papers · 1 filter
Why Pool When You Can Flow? Active Learning with GFlowNets
Renfei Zhang, Mohit Pandey, Artem Cherkasov +1
The scalability of pool-based active learning is limited by the computational cost of evaluating large unlabeled datasets, a challenge that is particularly acute in virtual screeni…
Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
Mohit Pandey, Gopeshh Subbaraj, Artem Cherkasov +2
Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as…
GFlowNet Pretraining with Inexpensive Rewards
Mohit Pandey, Gopeshh Subbaraj, Emmanuel Bengio
Generative Flow Networks (GFlowNets), a class of generative models have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by lea…
TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design
Tony Shen, Seonghwan Seo, Grayson Lee +5
Searching the vast chemical space for drug-like molecules that bind with a protein pocket is a challenging task in drug discovery. Recently, structure-based generative models have…