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.gitattributes
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all_data/tmQM/neutral_tmQM.db filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/tmQM.db filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/tmQM_centered.extxyz filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/tmQM_combined_notcentered.extxyz filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/neutral_tmqm_elec_e.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/neutral_tmqm_elec_e_reference_corrected.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/tmqm_elec_e.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM/tmqm_elec_e_reference_corrected.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/neutral_tmQM_wB97MV.db filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/tmQM_wB97MV.db filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/tmQM_wB97MV.traj filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/tmqm_wB97MV_elec_e.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/tmqm_wB97MV_elec_e_reference_corrected.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/neutral_tmqm_wB97MV_elec_e.lmdb filter=lfs diff=lfs merge=lfs -text
all_data/tmQM_wB97MV/neutral_tmqm_wB97MV_elec_e_reference_corrected.lmdb filter=lfs diff=lfs merge=lfs -text
chemiscope_files/tmqm_gemnet_evpredictions.json.gz filter=lfs diff=lfs merge=lfs -text
chemiscope_files/tmqm_wB97MV_gemnet_evpredictions.json.gz filter=lfs diff=lfs merge=lfs -text
trained_checkpoints/tmQM/80-gemnet.pt filter=lfs diff=lfs merge=lfs -text
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training_data/tmQM/80-val.lmdb filter=lfs diff=lfs merge=lfs -text
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training_data/tmQM_wB97MV_neutral/80-test.lmdb filter=lfs diff=lfs merge=lfs -text
oc20-pretrained/80-gemnet-oc20preds.pt filter=lfs diff=lfs merge=lfs -text
oc20-pretrained/neutral-80-gemnet-oc20preds.pt filter=lfs diff=lfs merge=lfs -text