Update readme plot#236
Merged
orionarcher merged 4 commits intomainfrom Aug 11, 2025
Merged
Conversation
WalkthroughREADME.md was updated to revise the Speedup section’s model list and approximate max-fit atom counts for an H100 80 GB card. The speedup plot image markdown was replaced with an HTML Changes
Estimated code review effort🎯 1 (Trivial) | ⏱️ ~2 minutes Poem
📜 Recent review detailsConfiguration used: CodeRabbit UI 📒 Files selected for processing (1)
🚧 Files skipped from review as they are similar to previous changes (1)
⏰ Context from checks skipped due to timeout of 90000ms. You can increase the timeout in your CodeRabbit configuration to a maximum of 15 minutes (900000ms). (57)
✨ Finishing Touches🧪 Generate unit tests
Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out. 🪧 TipsChatThere are 3 ways to chat with CodeRabbit:
SupportNeed help? Create a ticket on our support page for assistance with any issues or questions. CodeRabbit Commands (Invoked using PR comments)
Other keywords and placeholders
CodeRabbit Configuration File (
|
![coderabbitai[bot]](https://avatars.githubusercontent.com/in/347564?s=60&v=4){kind=small}
There was a problem hiding this comment.
Actionable comments posted: 1
🧹 Nitpick comments (3)
README.md (3)
100-100: Clarify phrasing: “max atoms … was”Improve readability and agreement by expanding “max” and clarifying subject.
Apply this diff:
-On an H100 80 GB card, -the max atoms that could fit in memory was ~8,000 for [EGIP](https://github.com/FAIR-Chem/fairchem), +On an H100 80 GB card, +the maximum number of atoms that fit in memory was ~8,000 for [EGIP](https://github.com/FAIR-Chem/fairchem),
101-101: Consistent capitalization with earlier usage: “MatterSim”Elsewhere in the README it’s “MatterSim” (Line 18). Align casing here.
-~10,000 for [MACE-MPA-0](https://github.com/ACEsuit/mace), ~22,000 for [Mattersim V1 1M](https://github.com/microsoft/mattersim), +~10,000 for [MACE-MPA-0](https://github.com/ACEsuit/mace), ~22,000 for [MatterSim V1 1M](https://github.com/microsoft/mattersim),
102-102: Use consistent thousands separatorsOther values use commas; update “~9000” to “~9,000”.
-~2,500 for [SevenNet](https://github.com/MDIL-SNU/SevenNet), and ~9000 for [PET-MAD](https://github.com/lab-cosmo/pet-mad). +~2,500 for [SevenNet](https://github.com/MDIL-SNU/SevenNet), and ~9,000 for [PET-MAD](https://github.com/lab-cosmo/pet-mad).
📜 Review details
Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro
⛔ Files ignored due to path filters (1)
docs/_static/speedup_plot.svgis excluded by!**/*.svg
📒 Files selected for processing (1)
README.md(1 hunks)
🧰 Additional context used
🪛 GitHub Actions: Linting
README.md
[error] 97-105: Pre-commit trailing-whitespace check failed for README.md (command: pre-commit run --all-files --show-diff-on-failure); trailing whitespace detected and removed by the hook.
⏰ Context from checks skipped due to timeout of 90000ms. You can increase the timeout in your CodeRabbit configuration to a maximum of 15 minutes (900000ms). (42)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.13_MACE_NVE_non_pbc.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.2_MACE_NVE.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.6_MACE_NVT_Nose_Hoover_temp_profile.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.12_MACE_NPT_Langevin.py)
- GitHub Check: test-examples (examples/scripts/5_Workflow/5.3_Elastic.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.4_MACE_NVT_Langevin.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.3_MACE_NVE_cueq.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.10_Hybrid_swap_mc.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.8_MACE_NPT_Nose_Hoover.py)
- GitHub Check: test-examples (examples/scripts/6_Phonons/6.1_Phonons_MACE.py)
- GitHub Check: test-examples (examples/scripts/7_Others/7.6_Compare_ASE_to_VV_FIRE.py)
- GitHub Check: test-examples (examples/scripts/5_Workflow/5.1_a2c_silicon_batched.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.5_MACE_NVT_Nose_Hoover.py)
- GitHub Check: test-examples (examples/scripts/7_Others/7.4_Velocity_AutoCorrelation.py)
- GitHub Check: test-examples (examples/scripts/3_Dynamics/3.9_MACE_NVT_staggered_stress.py)
- GitHub Check: test-examples (examples/scripts/5_Workflow/5.2_In_Flight_WBM.py)
- GitHub Check: test-examples (examples/scripts/4_High_level_api/4.1_high_level_api.py)
- GitHub Check: test-examples (examples/scripts/2_Structural_optimization/2.7_MACE_FrechetCellFilter_FIRE.py)
- GitHub Check: test-examples (examples/scripts/2_Structural_optimization/2.3_MACE_Gradient_Descent.py)
- GitHub Check: test-examples (examples/scripts/2_Structural_optimization/2.5_MACE_UnitCellFilter_Gradient_Descen...
- GitHub Check: test-examples (examples/scripts/6_Phonons/6.2_QuasiHarmonic_MACE.py)
- GitHub Check: test-examples (examples/scripts/6_Phonons/6.3_Conductivity_MACE.py)
- GitHub Check: test-examples (examples/tutorials/autobatching_tutorial.py)
- GitHub Check: test-examples (examples/tutorials/hybrid_swap_tutorial.py)
- GitHub Check: test-examples (examples/tutorials/low_level_tutorial.py)
- GitHub Check: test-examples (examples/tutorials/high_level_tutorial.py)
- GitHub Check: test-model (ubuntu-latest, 3.12, lowest-direct, orb, tests/models/test_orb.py)
- GitHub Check: test-model (ubuntu-latest, 3.11, highest, orb, tests/models/test_orb.py)
- GitHub Check: test-model (macos-14, 3.12, lowest-direct, mace, tests/models/test_mace.py)
- GitHub Check: test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_optimizers_vs_ase.py)
- GitHub Check: test-model (macos-14, 3.11, highest, mattersim, tests/models/test_mattersim.py)
- GitHub Check: test-model (ubuntu-latest, 3.12, lowest-direct, mace, tests/test_elastic.py)
- GitHub Check: test-model (ubuntu-latest, 3.12, lowest-direct, sevenn, tests/models/test_sevennet.py)
- GitHub Check: test-model (ubuntu-latest, 3.11, highest, sevenn, tests/models/test_sevennet.py)
- GitHub Check: test-model (macos-14, 3.12, lowest-direct, mace, tests/test_elastic.py)
- GitHub Check: test-model (ubuntu-latest, 3.12, lowest-direct, fairchem, tests/models/test_fairchem.py)
- GitHub Check: test-model (ubuntu-latest, 3.11, highest, mace, tests/test_elastic.py)
- GitHub Check: test-model (ubuntu-latest, 3.11, highest, fairchem, tests/models/test_fairchem.py)
- GitHub Check: test-core (ubuntu-latest, 3.12, lowest-direct)
- GitHub Check: test-core (ubuntu-latest, 3.11, highest)
- GitHub Check: test-core (macos-14, 3.12, lowest-direct)
- GitHub Check: build-docs
🔇 Additional comments (1)
README.md (1)
100-103: Validate text-vs-figure consistencyPlease double-check that the model names and approximate max-fit atom counts in the text match the updated speedup_plot.svg labels and values.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Summary
We've added a couple models and have data for them. They should be included in the README plot.
Summary by CodeRabbit