2 papers
q-bio.QM2024
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…
q-bio.QM2024
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…