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cs.CE2026
Finding Pathways in Reaction Networks guided by Energy Barriers using Integer Linear Programming
Adittya Pal, Rolf Fagerberg, Jakob Lykke Andersen +2
Analyzing synthesis pathways for target molecules in a chemical reaction network annotated with information on the kinetics of individual reactions is an area of active study. This…
cs.CE2025
ChemReservoir -- An Open-Source Framework for Chemically-Inspired Reservoir Computing
Mehmet Aziz Yirik, Jakob Lykke Andersen, Rolf Fagerberg +1
Reservoir computing is a type of a recurrent neural network, mapping the inputs into higher dimensional space using fixed and nonlinear dynamical systems, called reservoirs. In the…