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fix train_file and valid_file in mace_mp_0b
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ilyes319 committed Nov 15, 2024
1 parent 7e94227 commit a4cf743
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions mace_mp_0b/mace-agnesi-small.sh
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
srun python mace/mace/cli/run_train.py \
--name="MACE_large_agnesi" \
--train_file=".../mace_large_hp/mace_mp_data/train" \
--valid_file=".../mace_large_hp/mace_mp_data/valid" \
--statistics_file=".../mace_mp_data/mptrj-gga-ggapu-statistics.json" \
--train_file=".../train" \
--valid_file=".../valid" \
--statistics_file=".../mptrj-gga-ggapu-statistics.json" \
--loss='universal' \
--energy_weight=1 \
--forces_weight=10 \
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