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OpenDAS
torchani
Commits
97e3df07
Unverified
Commit
97e3df07
authored
Jul 31, 2018
by
Gao, Xiang
Committed by
GitHub
Jul 31, 2018
Browse files
fix build (#41)
parent
e2e740d0
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codefresh.yml
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97e3df07
...
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@@ -23,6 +23,9 @@ steps:
Examples
:
image
:
'
${{BuildTorchANI}}'
commands
:
-
rm -rf *.dat *.pt
-
python examples/nnp_training.py ./dataset/ani_gdb_s01.h5
-
python examples/nnp_training.py ./dataset/ani_gdb_s01.h5
# run twice to test if checkpoint is working
-
python examples/training-benchmark.py ./dataset/ani_gdb_s01.h5
-
python examples/training-benchmark.py ./dataset/ani_gdb_s01.h5
# run twice to test if checkpoint is working
-
python examples/energy_force.py
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