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Dataset size is showing size : 0 #10

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Siddhartha536 opened this issue Nov 13, 2024 · 1 comment
Open

Dataset size is showing size : 0 #10

Siddhartha536 opened this issue Nov 13, 2024 · 1 comment

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@Siddhartha536
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I have created a pdbs folder containing .pdb files under the afdbreps_l-256_plddt_80 folder and similarly created a genie2run folder under the run folder with a file called configuration, whose value is the same as the example/configuration. when running the python script python genie/train.py --devices 1 --num_nodes 1 --config runs/genie2run/configuration, it throwing error saying Dataset size : 0. And i have 15gb memory, would i able to run the codebase , or i should need to update the memory.

@haewonc
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haewonc commented Nov 16, 2024

You will have to specify the dataset directory in the configuration e.g.

dataDirectory data/afdbreps_l-256_plddt_80/pdbs

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