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COSMOBridge

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activity-coefficients

molecular-property-prediction

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COSMOBridge / predictions

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COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts

a5ae347 verified about 18 hours ago

candidates_110_frozen_ranking.csv

44.7 kB
COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts about 18 hours ago
test_set_predictions.npz

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xet

COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts about 18 hours ago
top20_candidates.csv

1.82 kB
COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts about 18 hours ago