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Table 1 Computational resources and cost associated with training and sampling the model and annotating a 2B sample

From: Exploring the GDB-13 chemical space using deep generative models

Operation

CPUs

RAM

GPU

Time

Training a model

4

32 GB

1

8 min/epoch

Sampling molecules

4

32 GB

1

33 million/h

Annotating 2B molecules

32

256 GB

0

24 h