2 papers
cs.LG2021
A reproducibility study of "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space"
Kevin Maik Jablonka, Fergus Mcilwaine, Susana Garcia +2
Nigam et al. reported a genetic algorithm (GA) utilizing the SELFIES representation and also propose an adaptive, neural network-based penalty that is supposed to improve the diver…
cond-mat.mtrl-sci2020
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi +1
By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand…