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Yuan (Cyrus) Chiang commited on
Commit
fdf446a
·
unverified ·
1 Parent(s): 79edee4

Add more benchmarks result and rename direcotry (#63)

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This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. .github/workflows/test.yaml +1 -2
  2. .gitignore +1 -1
  3. {examples → benchmarks}/bzo/dft.ipynb +0 -0
  4. {examples → benchmarks}/bzo/pbe/mode-1.npy +0 -0
  5. {examples → benchmarks}/bzo/pbe/phonopy_params.yaml +0 -0
  6. {examples → benchmarks}/c2db/ALIGNN.parquet +0 -0
  7. {examples → benchmarks}/c2db/CHGNet.parquet +0 -0
  8. {examples → benchmarks}/c2db/M3GNet.parquet +0 -0
  9. {examples → benchmarks}/c2db/MACE-MP(M).parquet +0 -0
  10. {examples → benchmarks}/c2db/MACE-MPA.parquet +0 -0
  11. {examples → benchmarks}/c2db/MatterSim.parquet +0 -0
  12. {examples → benchmarks}/c2db/ORBv2.parquet +0 -0
  13. {examples → benchmarks}/c2db/SevenNet.parquet +0 -0
  14. {examples → benchmarks}/c2db/analysis.ipynb +0 -0
  15. {examples → benchmarks}/c2db/c2db-confusion_matrices.pdf +0 -0
  16. {examples → benchmarks}/c2db/c2db-f1_bar.pdf +0 -0
  17. {examples → benchmarks}/c2db/c2db.db +0 -0
  18. {examples → benchmarks}/c2db/copy.parquet +0 -0
  19. {examples → benchmarks}/c2db/run.py +0 -0
  20. {examples → benchmarks}/eos_alloy/run_Fe-Ni-Cr.ipynb +0 -0
  21. {examples → benchmarks}/eos_bulk/CHGNet.parquet +0 -0
  22. {examples → benchmarks}/eos_bulk/CHGNet_processed.parquet +0 -0
  23. {examples → benchmarks}/eos_bulk/M3GNet.parquet +0 -0
  24. {examples → benchmarks}/eos_bulk/M3GNet_processed.parquet +0 -0
  25. {examples → benchmarks}/eos_bulk/MACE-MP(M).parquet +0 -0
  26. {examples → benchmarks}/eos_bulk/MACE-MP(M)_processed.parquet +0 -0
  27. {examples → benchmarks}/eos_bulk/MACE-MPA.parquet +0 -0
  28. {examples → benchmarks}/eos_bulk/MACE-MPA_processed.parquet +0 -0
  29. {examples → benchmarks}/eos_bulk/MatterSim.parquet +0 -0
  30. {examples → benchmarks}/eos_bulk/MatterSim_processed.parquet +0 -0
  31. {examples → benchmarks}/eos_bulk/ORBv2.parquet +0 -0
  32. {examples → benchmarks}/eos_bulk/ORBv2_processed.parquet +0 -0
  33. {examples → benchmarks}/eos_bulk/SevenNet.parquet +0 -0
  34. {examples → benchmarks}/eos_bulk/SevenNet_processed.parquet +0 -0
  35. {examples → benchmarks}/eos_bulk/analyze.py +0 -0
  36. {examples → benchmarks}/eos_bulk/eSEN.parquet +0 -0
  37. {examples → benchmarks}/eos_bulk/eSEN_processed.parquet +0 -0
  38. {examples → benchmarks}/eos_bulk/plot.py +0 -0
  39. {examples → benchmarks}/eos_bulk/preprocessing.py +0 -0
  40. {examples → benchmarks}/eos_bulk/run.py +0 -0
  41. {examples → benchmarks}/eos_bulk/summary.csv +0 -0
  42. {examples → benchmarks}/eos_bulk/summary.tex +0 -0
  43. {examples → benchmarks}/mof/CHGNet.pkl +0 -0
  44. {examples → benchmarks}/mof/M3GNet.pkl +0 -0
  45. {examples → benchmarks}/mof/MACE-MP(M).pkl +0 -0
  46. {examples → benchmarks}/mof/MACE-MPA.pkl +0 -0
  47. {examples → benchmarks}/mof/MatterSim.pkl +0 -0
  48. {examples → benchmarks}/mof/ORBv2.pkl +0 -0
  49. {examples → benchmarks}/mof/classification/M3GNet.pkl +0 -0
  50. {examples → benchmarks}/mof/classification/MACE-MP(M).pkl +0 -0
.github/workflows/test.yaml CHANGED
@@ -49,7 +49,7 @@ jobs:
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  env:
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  PREFECT_API_KEY: ${{ secrets.PREFECT_API_KEY }}
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  PREFECT_API_URL: ${{ secrets.PREFECT_API_URL }}
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- run: pytest -vra -n 5 --basetemp=./.pytest_temp tests
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  - name: Squash commits and trial push to Hugging Face
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  if: github.event_name == 'pull_request'
@@ -75,7 +75,6 @@ jobs:
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  # Setup LFS
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  git lfs fetch
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  git lfs checkout
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- # git config lfs.allowincompletepush true
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  # Push to temporary branch on Hugging Face
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  git push -f https://HF_USERNAME:$HF_TOKEN@huggingface.co/spaces/atomind/mlip-arena HEAD:refs/heads/$TRIAL_BRANCH
 
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  env:
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  PREFECT_API_KEY: ${{ secrets.PREFECT_API_KEY }}
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  PREFECT_API_URL: ${{ secrets.PREFECT_API_URL }}
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+ run: pytest -vra -n 5 --dist=loadscope tests
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  - name: Squash commits and trial push to Hugging Face
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  if: github.event_name == 'pull_request'
 
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  # Setup LFS
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  git lfs fetch
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  git lfs checkout
 
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  # Push to temporary branch on Hugging Face
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  git push -f https://HF_USERNAME:$HF_TOKEN@huggingface.co/spaces/atomind/mlip-arena HEAD:refs/heads/$TRIAL_BRANCH
.gitignore CHANGED
@@ -2,7 +2,7 @@
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  *.extxyz
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  *.traj
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  mlip_arena/tasks/*/
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- examples/
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  lab/
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  manuscripts/
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  datasets/
 
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  *.extxyz
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  *.traj
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  mlip_arena/tasks/*/
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+ benchmarks/
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  lab/
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  manuscripts/
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  datasets/
{examples → benchmarks}/bzo/dft.ipynb RENAMED
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{examples → benchmarks}/bzo/pbe/mode-1.npy RENAMED
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{examples → benchmarks}/bzo/pbe/phonopy_params.yaml RENAMED
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{examples → benchmarks}/c2db/ALIGNN.parquet RENAMED
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{examples → benchmarks}/c2db/CHGNet.parquet RENAMED
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{examples → benchmarks}/c2db/M3GNet.parquet RENAMED
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{examples → benchmarks}/c2db/MACE-MP(M).parquet RENAMED
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{examples → benchmarks}/c2db/MACE-MPA.parquet RENAMED
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{examples → benchmarks}/c2db/MatterSim.parquet RENAMED
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{examples → benchmarks}/c2db/ORBv2.parquet RENAMED
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{examples → benchmarks}/c2db/SevenNet.parquet RENAMED
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{examples → benchmarks}/c2db/analysis.ipynb RENAMED
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{examples → benchmarks}/c2db/c2db-confusion_matrices.pdf RENAMED
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{examples → benchmarks}/c2db/c2db-f1_bar.pdf RENAMED
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{examples → benchmarks}/c2db/c2db.db RENAMED
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{examples → benchmarks}/c2db/copy.parquet RENAMED
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{examples → benchmarks}/c2db/run.py RENAMED
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{examples → benchmarks}/eos_alloy/run_Fe-Ni-Cr.ipynb RENAMED
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{examples → benchmarks}/eos_bulk/CHGNet.parquet RENAMED
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{examples → benchmarks}/eos_bulk/CHGNet_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/M3GNet.parquet RENAMED
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{examples → benchmarks}/eos_bulk/M3GNet_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/MACE-MP(M).parquet RENAMED
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{examples → benchmarks}/eos_bulk/MACE-MP(M)_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/MACE-MPA.parquet RENAMED
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{examples → benchmarks}/eos_bulk/MACE-MPA_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/MatterSim.parquet RENAMED
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{examples → benchmarks}/eos_bulk/MatterSim_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/ORBv2.parquet RENAMED
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{examples → benchmarks}/eos_bulk/ORBv2_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/SevenNet.parquet RENAMED
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{examples → benchmarks}/eos_bulk/SevenNet_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/analyze.py RENAMED
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{examples → benchmarks}/eos_bulk/eSEN.parquet RENAMED
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{examples → benchmarks}/eos_bulk/eSEN_processed.parquet RENAMED
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{examples → benchmarks}/eos_bulk/plot.py RENAMED
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{examples → benchmarks}/eos_bulk/preprocessing.py RENAMED
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{examples → benchmarks}/eos_bulk/run.py RENAMED
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{examples → benchmarks}/eos_bulk/summary.csv RENAMED
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{examples → benchmarks}/eos_bulk/summary.tex RENAMED
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{examples → benchmarks}/mof/CHGNet.pkl RENAMED
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{examples → benchmarks}/mof/M3GNet.pkl RENAMED
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{examples → benchmarks}/mof/MACE-MP(M).pkl RENAMED
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{examples → benchmarks}/mof/MACE-MPA.pkl RENAMED
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{examples → benchmarks}/mof/MatterSim.pkl RENAMED
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{examples → benchmarks}/mof/ORBv2.pkl RENAMED
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{examples → benchmarks}/mof/classification/M3GNet.pkl RENAMED
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{examples → benchmarks}/mof/classification/MACE-MP(M).pkl RENAMED
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