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pengxingang / Pocket2Mol

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
MIT License
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Question about training time #26

Closed schjr closed 1 year ago

schjr commented 1 year ago

Hello, Thank you for your wonderful work! I am running Pocket2Mol using a TITAN RTX under the default settings. I notice that my training process is time-consuming (4days). I wonder how long does it approximately take to train in your experiment, and how many V100s are used.

pengxingang commented 1 year ago

Hi, thanks for your interest in our work. We checked the training time. Under the default setting and using one A100 GPU, it takes about 5 days to train Pocket2Mol for 500,000 steps. It's possible to accelerate the training process by using more GPUs and other config settings.

schjr commented 1 year ago

I see. Thank you for your reply!