WellBERT - LLM model to extract information from oil and gas well inspector comments
2025
QupKake - micro-pKa prediction model
2024
xTB Parsing Support for cclib
2022
Pi-System Features for Machine Learning
2023
Machine Learning to Accelerate Screening for Marcus Reorganization Energies
2021
Finding High-Spin Polymers Using Genetic Algorithms
2022