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@@ -10,6 +10,4 @@ dist/ | |
| htmlcov/ | ||
| uv.lock | ||
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| # slurm job logs from benchmarks/ | ||
| benchmarks/slurm-*.out | ||
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| cff-version: 1.2.0 | ||
| message: "If you use gpudge in your research, please cite it as below." | ||
| title: "gpudge: GPU Mann-Whitney differential expression for single-cell CRISPR screens" | ||
| abstract: >- | ||
| A GPU-only Mann-Whitney U differential expression library for single-cell | ||
| CRISPR perturbation screens. One entry point, de(), taking an in-memory | ||
| AnnData, a separate control AnnData, a caller-supplied cell source, or a | ||
| streamed shardad archive. Two-sided asymptotic Mann-Whitney with tie and | ||
| continuity corrections, matching scipy.stats.mannwhitneyu, with per-group | ||
| Benjamini-Hochberg adjustment and rank-based effect sizes. | ||
| type: software | ||
| authors: | ||
| - family-names: Dobin | ||
| given-names: Alexander | ||
| affiliation: "Arc Institute" | ||
| version: 0.8.0 | ||
| date-released: "2026-08-18" | ||
| license: MIT | ||
| repository-code: "https://github.com/ArcInstitute/gpudge" | ||
| keywords: | ||
| - single-cell | ||
| - differential-expression | ||
| - mann-whitney | ||
| - wilcoxon | ||
| - CRISPR | ||
| - perturbation-screen | ||
| - GPU | ||
| - CUDA |
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| @@ -0,0 +1,130 @@ | ||
| # Contributor Covenant Code of Conduct | ||
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| ## Our Pledge | ||
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| We as members, contributors, and leaders pledge to make participation in our | ||
| community a harassment-free experience for everyone, regardless of age, body | ||
| size, visible or invisible disability, ethnicity, sex characteristics, gender | ||
| identity and expression, level of experience, education, socio-economic status, | ||
| nationality, personal appearance, race, caste, color, religion, or sexual | ||
| identity and orientation. | ||
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| We pledge to act and interact in ways that contribute to an open, welcoming, | ||
| diverse, inclusive, and healthy community. | ||
|
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| ## Our Standards | ||
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| Examples of behavior that contributes to a positive environment for our | ||
| community include: | ||
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| * Demonstrating empathy and kindness toward other people | ||
| * Being respectful of differing opinions, viewpoints, and experiences | ||
| * Giving and gracefully accepting constructive feedback | ||
| * Accepting responsibility and apologizing to those affected by our mistakes, | ||
| and learning from the experience | ||
| * Focusing on what is best not just for us as individuals, but for the overall | ||
| community | ||
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| Examples of unacceptable behavior include: | ||
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| * The use of sexualized language or imagery, and sexual attention or advances of | ||
| any kind | ||
| * Trolling, insulting or derogatory comments, and personal or political attacks | ||
| * Public or private harassment | ||
| * Publishing others' private information, such as a physical or email address, | ||
| without their explicit permission | ||
| * Other conduct which could reasonably be considered inappropriate in a | ||
| professional setting | ||
|
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| ## Enforcement Responsibilities | ||
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| Community leaders are responsible for clarifying and enforcing our standards of | ||
| acceptable behavior and will take appropriate and fair corrective action in | ||
| response to any behavior that they deem inappropriate, threatening, offensive, | ||
| or harmful. | ||
|
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| Community leaders have the right and responsibility to remove, edit, or reject | ||
| comments, commits, code, wiki edits, issues, and other contributions that are | ||
| not aligned to this Code of Conduct, and will communicate reasons for moderation | ||
| decisions when appropriate. | ||
|
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||
| ## Scope | ||
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| This Code of Conduct applies within all community spaces, and also applies when | ||
| an individual is officially representing the community in public spaces. | ||
| Examples of representing our community include using an official email address, | ||
| posting via an official social media account, or acting as an appointed | ||
| representative at an online or offline event. | ||
|
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| ## Enforcement | ||
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| Instances of abusive, harassing, or otherwise unacceptable behavior may be | ||
| reported to the community leaders responsible for enforcement at | ||
| **alexander.dobin@arcinstitute.org**. | ||
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| All complaints will be reviewed and investigated promptly and fairly. | ||
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| All community leaders are obligated to respect the privacy and security of the | ||
| reporter of any incident. | ||
|
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| ## Enforcement Guidelines | ||
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| Community leaders will follow these Community Impact Guidelines in determining | ||
| the consequences for any action they deem in violation of this Code of Conduct: | ||
|
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| ### 1. Correction | ||
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| **Community Impact**: Use of inappropriate language or other behavior deemed | ||
| unprofessional or unwelcome in the community. | ||
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| **Consequence**: A private, written warning from community leaders, providing | ||
| clarity around the nature of the violation and an explanation of why the | ||
| behavior was inappropriate. A public apology may be requested. | ||
|
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| ### 2. Warning | ||
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| **Community Impact**: A violation through a single incident or series of | ||
| actions. | ||
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| **Consequence**: A warning with consequences for continued behavior. No | ||
| interaction with the people involved, including unsolicited interaction with | ||
| those enforcing the Code of Conduct, for a specified period of time. This | ||
| includes avoiding interactions in community spaces as well as external channels | ||
| like social media. Violating these terms may lead to a temporary or permanent | ||
| ban. | ||
|
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| ### 3. Temporary Ban | ||
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| **Community Impact**: A serious violation of community standards, including | ||
| sustained inappropriate behavior. | ||
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| **Consequence**: A temporary ban from any sort of interaction or public | ||
| communication with the community for a specified period of time. No public or | ||
| private interaction with the people involved, including unsolicited interaction | ||
| with those enforcing the Code of Conduct, is allowed during this period. | ||
| Violating these terms may lead to a permanent ban. | ||
|
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| ### 4. Permanent Ban | ||
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| **Community Impact**: Demonstrating a pattern of violation of community | ||
| standards, including sustained inappropriate behavior, harassment of an | ||
| individual, or aggression toward or disparagement of classes of individuals. | ||
|
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| **Consequence**: A permanent ban from any sort of public interaction within the | ||
| community. | ||
|
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| ## Attribution | ||
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| This Code of Conduct is adapted from the [Contributor Covenant][homepage], | ||
| version 2.1, available at | ||
| https://www.contributor-covenant.org/version/2/1/code_of_conduct.html. | ||
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| Community Impact Guidelines were inspired by | ||
| [Mozilla's code of conduct enforcement ladder][mozilla]. | ||
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| For answers to common questions about this code of conduct, see the FAQ at | ||
| https://www.contributor-covenant.org/faq. Translations are available at | ||
| https://www.contributor-covenant.org/translations. | ||
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| [homepage]: https://www.contributor-covenant.org | ||
| [mozilla]: https://github.com/mozilla/inclusion |
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| # Contributing to gpudge | ||||||
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| Thanks for looking. gpudge is a small, deliberately narrow library — one public | ||||||
| entry point, `de()` — so most contributions are bug reports, test cases, and | ||||||
| documentation fixes rather than new features. | ||||||
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| ## What is and is not in this repository | ||||||
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| `src/` is the library, `tests/` its suite, and `docs/` and `examples/` its | ||||||
| documentation. `benchmarks/` holds performance and comparison harnesses that | ||||||
| are not part of the installed package. | ||||||
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| Some code comments cite design specs by label (`spec 3.2b`, `Semantics A`). | ||||||
| Those documents are not shipped with the package and may not be in your | ||||||
| checkout at all. Where such a label carries reasoning you need, that reasoning | ||||||
| is restated in the code — if you find one that is a bare pointer with nothing | ||||||
| behind it, that is a bug worth reporting. | ||||||
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| ## Setting up | ||||||
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| Python **≥ 3.11**, and a **CUDA GPU** for anything that calls `de()`. There is | ||||||
| no CPU fallback; without a GPU it raises rather than running slowly. | ||||||
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| ```bash | ||||||
| git clone https://github.com/ArcInstitute/gpudge.git && cd gpudge | ||||||
| uv venv && uv pip install --torch-backend=cu126 -e ".[dev,fast]" | ||||||
|
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Suggested change
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| ``` | ||||||
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| Use `uv pip install`, **not `uv sync`** — `uv sync` builds uv's universal lock, | ||||||
| which resolves every entry in `[tool.uv.sources]`, including the private | ||||||
| `shardad` source, even when you did not ask for the `streaming` extra; without | ||||||
| SSH access to that repository it fails with `Permission denied (publickey)`. | ||||||
| `uv pip install` resolves only the extras you name. `[fast]` adds numba, which | ||||||
| the fast CSR kernel needs; `[dev]` adds pytest, ruff, scanpy and pyyaml. | ||||||
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| ## Running the tests | ||||||
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| ```bash | ||||||
| uv run --no-sync pytest tests/ # most of it needs no GPU | ||||||
| uv run --no-sync ruff check src/ tests/ examples/ # exactly what CI runs | ||||||
| ``` | ||||||
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| `uv venv` creates `.venv` but does not activate it, so `uv run --no-sync` is | ||||||
| what makes a bare shell use it — these are the two commands CI runs verbatim. | ||||||
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| Two things that surprise people: | ||||||
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| - **`pytest -m needs_cuda` selects nothing and exits 5.** `needs_cuda` is a | ||||||
| `skipif` decorator in `tests/conftest.py`, not a registered marker. Run the | ||||||
| whole suite on a GPU host instead. | ||||||
| - **CI is CPU-only**, so the GPU bit-identity gates and the GPU-backed parity | ||||||
| assertions never execute there. Green CI is necessary, not sufficient, for a | ||||||
| change touching a GPU path — say in your PR whether you ran the suite on a | ||||||
| CUDA host, and what it reported. | ||||||
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| Three suites (`test_shard_stream.py`, `test_cell_stream.py`, | ||||||
| `test_inmem_external_ref_gpu.py`) call `importorskip("shardad")` at module | ||||||
| level, so without that optional dependency they are not collected at all — they | ||||||
| appear as 3 skips rather than as their real case count. | ||||||
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| ## The bar for tests | ||||||
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| This repository has been bitten repeatedly by tests that could not fail: a | ||||||
| byte-identity gate that was silently a tolerance check, because polars' | ||||||
| `assert_frame_equal` defaults to `check_exact=False`; assertions with tolerances | ||||||
| four orders looser than the measured agreement; an oracle branch that had never | ||||||
| once executed and was wrong when it finally did. Six such gates were repaired in | ||||||
| a single release. | ||||||
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| So the expectation for a test accompanying a fix is concrete: | ||||||
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| > **Break the fix and watch the test go red.** Then put it back. | ||||||
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| If a test cannot be made to fail by reverting the thing it covers, it is not | ||||||
| testing that thing. Saying so in the PR — "reverting X turns this red" — is the | ||||||
| most useful sentence you can write, and reviewers here will ask for it. | ||||||
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| ## Documentation that is enforced | ||||||
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| Some prose is checked by tests, and changing it means changing the test too: | ||||||
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| - `docs/tutorial.md`'s published numbers are recomputed by | ||||||
| `tests/test_tutorial.py` from an independent SciPy oracle. Edit the transcript | ||||||
| and the test fails. | ||||||
| - The committed tutorial dataset is pinned by sha256. | ||||||
| - The test counts quoted in `CLAUDE.md` are measurements. If your change moves | ||||||
| them, re-measure rather than adjusting them by hand. | ||||||
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| ## Pull requests | ||||||
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| Branch, open a PR, get CI green. Keep commits and PR descriptions factual about | ||||||
| what was verified and what was not — "I did not run the GPU suite" is a fine | ||||||
| thing to write, and much better than silence. If a reviewer's suggestion looks | ||||||
| wrong to you, say why rather than applying it; several suggestions in this | ||||||
| repository's history were technically reasoned and empirically false. | ||||||
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| ## Reporting a bug | ||||||
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| Include the gpudge version, the Python and torch versions, the GPU, and the | ||||||
| shape of the input (`n_obs × n_vars`, number of groups, sparse or dense, dtype). | ||||||
| For a numerical disagreement the most useful report is a small reproducer plus | ||||||
| what you expected and why — a comparison against `scipy.stats.mannwhitneyu` with | ||||||
| `method="asymptotic"` is the reference gpudge is built to match. | ||||||
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| Security issues go through [SECURITY.md](SECURITY.md), not the public tracker. | ||||||
| Conduct concerns go through [CODE_OF_CONDUCT.md](CODE_OF_CONDUCT.md). | ||||||
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| # Security policy | ||
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| ## Reporting a vulnerability | ||
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| Please report privately, through GitHub's **[private vulnerability | ||
| reporting](https://docs.github.com/en/code-security/security-advisories/guidance-on-reporting-and-writing-information-about-vulnerabilities/privately-reporting-a-security-vulnerability)** | ||
| — the *Security* tab of this repository, then *Report a vulnerability*. That | ||
| opens a draft advisory only the maintainers can see. | ||
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| Please do not open a public issue for a suspected vulnerability. | ||
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| What is useful in a report: what an attacker controls, what they achieve, and a | ||
| reproducer if you have one. gpudge is maintained by a small team alongside other | ||
| work, so expect an acknowledgement in days rather than hours. If a report turns | ||
| out to be a plain bug rather than a vulnerability we will say so and move it to | ||
| the public tracker, with your agreement. | ||
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| ## Supported versions | ||
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| The latest release only. gpudge is pre-1.0 and there are no maintenance | ||
| branches: fixes land on `main` and go out in the next release rather than being | ||
| backported. | ||
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| ## What the threat model actually is | ||
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| gpudge is a compute library. It does not open sockets, spawn processes, or | ||
| authenticate anyone. Realistically the interesting surface is **the input you | ||
| hand it**: | ||
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| - an untrusted `.h5ad` or `shardad` archive — parsing is done by `anndata`, | ||
| `h5py` and `shardad`, so a malicious file is mostly *their* attack surface, | ||
| but a crash or a wild allocation reachable through gpudge's own slicing and | ||
| chunk-sizing code is in scope here; | ||
| - `de(cell_source=…)`, which runs a callable you supply — that is by design, and | ||
| passing an untrusted callable is equivalent to running untrusted code; | ||
| - resource exhaustion: gpudge deliberately sizes GPU chunks against available | ||
| VRAM and recovers from OOM, so a hostile input shaped to defeat that sizing is | ||
| a legitimate report. | ||
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| Out of scope: that `de()` requires a CUDA GPU and raises without one; that | ||
| `densify_input=True` mutates `adata.X` in place and needs host RAM proportional | ||
| to the input (both documented); and anything that requires already being able to | ||
| run arbitrary code in the same process. | ||
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| ## Dependencies | ||
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| Third-party licences and the environment a release was audited against are | ||
| recorded in [`docs/THIRD_PARTY_LICENSES.md`](docs/THIRD_PARTY_LICENSES.md). A | ||
| vulnerability in a dependency is best reported upstream first; tell us too, so | ||
| the floor can be raised here. |
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The
uv pip installcommand does not support a--torch-backendoption. Running this command will fail with anunexpected argumenterror. To install PyTorch with a specific CUDA version, use the--extra-index-urloption pointing to the PyTorch wheel index.