47 citations · 55 across the 3 of their papers we have counts for
3 papers
Transition Path Sampling with Boltzmann Generator-based MCMC Moves
Michael Plainer, Hannes Stärk, Charlotte Bunne +1
Sampling all possible transition paths between two 3D states of a molecular system has various applications ranging from catalyst design to drug discovery. Current approaches to sa…
Reproducible image-based profiling with Pycytominer
Erik Serrano, Srinivas Niranj Chandrasekaran, Dave Bunten +25
Advances in high-throughput microscopy have enabled the rapid acquisition of large numbers of high-content microscopy images. Whether by deep learning or classical algorithms, imag…
Studying Invariances of Trained Convolutional Neural Networks
Charlotte Bunne, Lukas Rahmann, Thomas Wolf
Convolutional Neural Networks (CNNs) define an exceptionally powerful class of models for image classification, but the theoretical background and the understanding of how invarian…