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Unverified Commit 97e3df07 authored by Gao, Xiang's avatar Gao, Xiang Committed by GitHub
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fix build (#41)

parent e2e740d0
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codefresh.yml
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...@@ -23,6 +23,9 @@ steps: ...@@ -23,6 +23,9 @@ steps:
Examples: Examples:
image: '${{BuildTorchANI}}' image: '${{BuildTorchANI}}'
commands: 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
- 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
- python examples/training-benchmark.py ./dataset/ani_gdb_s01.h5 # run twice to test if checkpoint is working
- python examples/energy_force.py - python examples/energy_force.py
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