This project will aim to train a VAMPnets model in one epoch i.e., online learning.
The key reference (at the moment at least) is:
Sahoo, D. et al. (2017) ‘Online Deep Learning: Learning Deep Neural Networks on the Fly’, arXiv:1711.03705 [cs] [Preprint]. Available at: http://arxiv.org/abs/1711.03705 (Accessed: 14 May 2021).
Assuming a linux OS with CUDA drivers 11.3 - see Pytorch.org for details for other distros/CUDA versions.
conda create -n onlinevampnets python==3.9 -y
conda install pytorch cudatoolkit=11.3 -c pytorch -y
conda install deeptime mdshare matplotlib tqdm ipykernel -y