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MagNET

chemical-shift-prediction

molecular-property-prediction

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MagNET / data /sigma-fresh

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Add sigma-fresh dataset (30 GB explicit-solvent poses)

e250f65 verified 16 days ago

decode_sigma_fresh.py

6.52 kB
Add files using upload-large-folder tool 16 days ago
sigma-fresh.hdf5

32.4 GB
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Add sigma-fresh dataset (30 GB explicit-solvent poses) 16 days ago
test_sigma_fresh.py

7.54 kB
Add files using upload-large-folder tool 16 days ago