Abstract: We present mpi4py.futures, a lightweight, asynchronous task execution framework targeting the Python programming language and using the Message Passing Interface (MPI) for interprocess ...
Images: The global minimum energy structure of a 38 atom Lennard-Jones cluster. On the right is a disconnectivity graph showing a visualization of the energy landscape. The competing low energy basins ...
Execute the script using mpiexec or your computer/cluster's MPI execute script, e.g., here we will use 8 cores: mpiexec -n 8 python mpipool-demo.py ...
This important study introduces a new biology-informed strategy for deep learning models aiming to predict mutational effects in antibody sequences. It provides solid evidence that separating ...
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