Simplified Molecular transformer example - #2399

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szaman19 wants to merge 11 commits into

LBANN:v1.x-developfrom

szaman19:molbannformer

Commits on Mar 5, 2024

Adding simplified data wrangling files
szaman19
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8866e0b
Add trainer file for running the transformer
szaman19
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d405a2c
Fix data loader for QM9 dataset
szaman19
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6136e1c
Fix missing arguments in trainer.py
szaman19
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742c4a9
Remove debug statement from tokenizer
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ee3033e
Fix util paths
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9d53b44
Added a readme for pretokenization
szaman19
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5c267f5
Add pre-generated vocab files
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88a0cf7
Fix typos and path errors on lassen
szaman19
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8d91f8b
QM9 trainer up and running
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6d31004
Add data util to mask data
szaman19
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0bf6362