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Parameter optimization for the unimon qubit: figure data

Eric Hyyppä, Rostislav Duda2025

Data for manuscript "Emulator-based calibration of a dynamic grassland model using recurrent neural networks and Hamiltonian Monte Carlo" by Aakula et al.

Viivi Aakula2025

Data for manuscript "Emulator-based calibration of a dynamic grassland model using recurrent neural networks and Hamiltonian Monte Carlo" by Aakula et al.

Viivi Aakula2025

Predicting Intersystem Crossing Rate Constants of Alkoxy-Radical Pairs with Structure-Based Descriptors and Machine Learning

Hilda Sandström, Kai Puolamäki, Patrick Rinke, Rashid Valiev, Rinat Nasibullin, Theo Kurtén2025

Predicting Intersystem Crossing Rate Constants of Alkoxy-Radical Pairs with Structure-Based Descriptors and Machine Learning

Hilda Sandström, Kai Puolamäki, Patrick Rinke, Rashid Valiev, Rinat Nasibullin, Theo Kurtén2025

Dataset for "Quantum-mechanical treatment of thermal effects on structure and 13C NMR shielding of Buckminsterfullerene C60"

Perttu Lantto, Petr Štěpánek, Tiia Jacklin2025

High-throughput dataset of mass flow of NMC and Gr in Li-ion battery recycling simulations with HSC-Sim

Anna Klemettinen, Luis Arturo Gomez Moreno, Milica Todorovic, Nima Emami, Rodrigo Serna-Guerrero2025

Human-in-the-loop assisted de novo molecular design

Alexey Voronov, Atanas Patronov, Esben Jannik Bjerrum, Haoping Xiao, Iiris Sundin, Kostas Papadopoulos, Markus Heinonen, Ola Engkvist, Samuel Kaski2024

Direct imaging of carbohydrate stereochemistry structural dataset

Joakim Jestilä2024

Discovery of alkaline laccases from basidiomycete fungi through machine learning-based approach

Francisco Vilaplana, Miia R. Mäkelä, Sazzad Shahrear, Shea Wen Chew, Xing Wan2024