26 citations · 47 across the 18 of their papers we have counts for
3 papers · 1 filter
On the Complexity of Reconstructing Chemical Reaction Networks
Rolf Fagerberg, Christoph Flamm, Daniel Merkle +2
The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, d…
FooPar: A Functional Object Oriented Parallel Framework in Scala
Felix P. Hargreaves, Daniel Merkle
We present FooPar, an extension for highly efficient Parallel Computing in the multi-paradigm programming language Scala. Scala offers concise and clean syntax and integrates funct…
Generic Strategies for Chemical Space Exploration
Jakob L. Andersen, Christoph Flamm, Daniel Merkle +1
Computational approaches to exploring "chemical universes", i.e., very large sets, potentially infinite sets of compounds that can be constructed by a prescribed collection of reac…