D. Ranasinghe

collaborators

2 papers

cs.LG2025

Interpreting GFlowNets for Drug Discovery: What probes can and cannot show

Amirtha Varshini A S, Duminda S. Ranasinghe, Hok Hei Tam

Generative Flow Networks (GFlowNets) construct molecules through sequential decisions, but their internal policies remain opaque, limiting adoption in drug discovery, where chemist…

physics.chem-ph2016

Predictive coupled-cluster isomer orderings for some Si $_{n}$ C $_{m}$ ( $m, n \leq 12$ ) clusters; A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

Jason N. Byrd, Jesse J. Lutz, Yifan Jin +7

The accurate determination of the preferred $Si_{12} C_{12}$ isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related p…

Interpreting GFlowNets for Drug Discovery: What probes can and cannot show

Predictive coupled-cluster isomer orderings for some Sin​Cm​ (m,n≤12) clusters; A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

Predictive coupled-cluster isomer orderings for some Si $_{n}$ C $_{m}$ ( $m, n \leq 12$ ) clusters; A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks