From the publication pyPept: a python library to generate atomistic 2D and 3D representations of peptides Journal of Cheminformatics, 2023, 15:79 Authors: Rodrigo Ochoa, J.B Brown, Thomas Fox Here we ...
Ubuntu 20.04 Python 3.10 PyTorch 2.1.1 1 NVIDIA GPU (RTX A6000) with CUDA version 11.8. (Other GPUs are also suitable, and 22GB GPU memory is sufficient for dense tracking (~10k points) with our code.
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