11 citations · 12 across the 3 of their papers we have counts for
3 papers
milearn: A Python Package for Multi-Instance Machine Learning
Dmitry Zankov, Pavlo Polishchuk, Michal Sobieraj +1
We introduce milearn, a Python package for multi-instance learning (MIL) that follows the familiar scikit-learn fit/predict interface while providing a unified framework for both c…
Prediction Challenge: Simulating Rydberg Photoexcited Cyclobutanone with Surface Hopping Dynamics based on Different Electronic Structure Methods
Saikat Mukherjee, Rafael S. Mattos, Josene M. Toldo +2
This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the n-3s Rydberg S2 state. It stems from our contribution to the Special Topic of the Journa…
Probing the electronic structure and photophysics of thiophene-diketopyrrolopyrrole derivatives in solution
Daniel W Polak, Mariana T do Casal, Josene M Toldo +7
Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic materials. When combined with electron donating side-chain functional groups such as thioph…