Black-Box Chemical Process Optimization
towards data science,
Relying on decision support for which experiment to perform nextContinue reading on Towards Data Science »
Relying on decision support for which experiment to perform nextContinue reading on Towards Data Science »
A straightforward ML approach for quickly and accurately predicting the formation energy and band gap of multiple interacting…
jcheminf.biomedcentral.com - Energy difference versus number of rotatable bonds: BOA and uniform random search. The red dotted…