scib-rapids 0.1.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (60) hide show
  1. scib_rapids-0.1.0/.codecov.yaml +17 -0
  2. scib_rapids-0.1.0/.editorconfig +18 -0
  3. scib_rapids-0.1.0/.github/ISSUE_TEMPLATE/bug_report.yml +33 -0
  4. scib_rapids-0.1.0/.github/ISSUE_TEMPLATE/config.yml +5 -0
  5. scib_rapids-0.1.0/.github/ISSUE_TEMPLATE/feature_request.yml +11 -0
  6. scib_rapids-0.1.0/.github/workflows/build.yaml +29 -0
  7. scib_rapids-0.1.0/.github/workflows/release.yaml +29 -0
  8. scib_rapids-0.1.0/.github/workflows/test.yaml +62 -0
  9. scib_rapids-0.1.0/.gitignore +34 -0
  10. scib_rapids-0.1.0/.pre-commit-config.yaml +46 -0
  11. scib_rapids-0.1.0/.readthedocs.yaml +16 -0
  12. scib_rapids-0.1.0/CHANGELOG.md +20 -0
  13. scib_rapids-0.1.0/LICENSE +29 -0
  14. scib_rapids-0.1.0/PKG-INFO +155 -0
  15. scib_rapids-0.1.0/README.md +84 -0
  16. scib_rapids-0.1.0/docs/Makefile +20 -0
  17. scib_rapids-0.1.0/docs/_static/css/custom.css +4 -0
  18. scib_rapids-0.1.0/docs/_templates/autosummary/class.rst +61 -0
  19. scib_rapids-0.1.0/docs/api.md +66 -0
  20. scib_rapids-0.1.0/docs/changelog.md +3 -0
  21. scib_rapids-0.1.0/docs/conf.py +201 -0
  22. scib_rapids-0.1.0/docs/contributing.md +146 -0
  23. scib_rapids-0.1.0/docs/extensions/typed_returns.py +36 -0
  24. scib_rapids-0.1.0/docs/index.md +14 -0
  25. scib_rapids-0.1.0/docs/notebooks/lung_example.ipynb +159 -0
  26. scib_rapids-0.1.0/docs/notebooks/quickstart.ipynb +201 -0
  27. scib_rapids-0.1.0/docs/references.bib +48 -0
  28. scib_rapids-0.1.0/docs/references.md +5 -0
  29. scib_rapids-0.1.0/docs/tutorials.md +9 -0
  30. scib_rapids-0.1.0/pyproject.toml +139 -0
  31. scib_rapids-0.1.0/scripts/benchmark_report.py +301 -0
  32. scib_rapids-0.1.0/setup.py +5 -0
  33. scib_rapids-0.1.0/src/scib_rapids/__init__.py +36 -0
  34. scib_rapids-0.1.0/src/scib_rapids/_types.py +6 -0
  35. scib_rapids-0.1.0/src/scib_rapids/metrics/__init__.py +23 -0
  36. scib_rapids-0.1.0/src/scib_rapids/metrics/_graph_connectivity.py +36 -0
  37. scib_rapids-0.1.0/src/scib_rapids/metrics/_isolated_labels.py +71 -0
  38. scib_rapids-0.1.0/src/scib_rapids/metrics/_kbet.py +169 -0
  39. scib_rapids-0.1.0/src/scib_rapids/metrics/_lisi.py +91 -0
  40. scib_rapids-0.1.0/src/scib_rapids/metrics/_nmi_ari.py +117 -0
  41. scib_rapids-0.1.0/src/scib_rapids/metrics/_pcr_comparison.py +52 -0
  42. scib_rapids-0.1.0/src/scib_rapids/metrics/_silhouette.py +141 -0
  43. scib_rapids-0.1.0/src/scib_rapids/nearest_neighbors/__init__.py +7 -0
  44. scib_rapids-0.1.0/src/scib_rapids/nearest_neighbors/_dataclass.py +63 -0
  45. scib_rapids-0.1.0/src/scib_rapids/nearest_neighbors/_pynndescent.py +23 -0
  46. scib_rapids-0.1.0/src/scib_rapids/utils/__init__.py +23 -0
  47. scib_rapids-0.1.0/src/scib_rapids/utils/_diffusion_nn.py +84 -0
  48. scib_rapids-0.1.0/src/scib_rapids/utils/_dist.py +68 -0
  49. scib_rapids-0.1.0/src/scib_rapids/utils/_kmeans.py +143 -0
  50. scib_rapids-0.1.0/src/scib_rapids/utils/_lisi.py +174 -0
  51. scib_rapids-0.1.0/src/scib_rapids/utils/_pca.py +88 -0
  52. scib_rapids-0.1.0/src/scib_rapids/utils/_pcr.py +62 -0
  53. scib_rapids-0.1.0/src/scib_rapids/utils/_silhouette.py +122 -0
  54. scib_rapids-0.1.0/src/scib_rapids/utils/_utils.py +59 -0
  55. scib_rapids-0.1.0/tests/__init__.py +0 -0
  56. scib_rapids-0.1.0/tests/test_benchmark.py +254 -0
  57. scib_rapids-0.1.0/tests/test_cross_validate.py +315 -0
  58. scib_rapids-0.1.0/tests/test_metrics.py +172 -0
  59. scib_rapids-0.1.0/tests/utils/__init__.py +0 -0
  60. scib_rapids-0.1.0/tests/utils/data.py +27 -0
@@ -0,0 +1,17 @@
1
+ # Based on pydata/xarray
2
+ codecov:
3
+ require_ci_to_pass: no
4
+
5
+ coverage:
6
+ status:
7
+ project:
8
+ default:
9
+ # Require 1% coverage, i.e., always succeed
10
+ target: 1
11
+ patch: false
12
+ changes: false
13
+
14
+ comment:
15
+ layout: diff, flags, files
16
+ behavior: once
17
+ require_base: no
@@ -0,0 +1,18 @@
1
+ root = true
2
+
3
+ [*]
4
+ indent_style = space
5
+ indent_size = 4
6
+ end_of_line = lf
7
+ charset = utf-8
8
+ trim_trailing_whitespace = true
9
+ insert_final_newline = true
10
+
11
+ [*.{yml,yaml}]
12
+ indent_size = 2
13
+
14
+ [.cruft.json]
15
+ indent_size = 2
16
+
17
+ [Makefile]
18
+ indent_style = tab
@@ -0,0 +1,33 @@
1
+ name: Bug report
2
+ description: Report something that is broken or incorrect
3
+ labels: bug
4
+ body:
5
+ - type: markdown
6
+ attributes:
7
+ value: |
8
+ **Note**: Please read [this guide](https://matthewrocklin.com/blog/work/2018/02/28/minimal-bug-reports)
9
+ detailing how to provide the necessary information for us to reproduce your bug. In brief:
10
+ * Please provide exact steps how to reproduce the bug in a clean Python environment.
11
+ * In case it's not clear what's causing this bug, please provide the data or the data generation procedure.
12
+ * Sometimes it is not possible to share the data, but usually it is possible to replicate problems on publicly
13
+ available datasets or to share a subset of your data.
14
+
15
+ - type: textarea
16
+ id: report
17
+ attributes:
18
+ label: Report
19
+ description: A clear and concise description of what the bug is.
20
+ validations:
21
+ required: true
22
+
23
+ - type: textarea
24
+ id: versions
25
+ attributes:
26
+ label: Version information
27
+ description: |
28
+ Please paste below the output of
29
+
30
+ ```python
31
+ import session_info
32
+ session_info.show(html=False, dependencies=True)
33
+ ```
@@ -0,0 +1,5 @@
1
+ blank_issues_enabled: false
2
+ contact_links:
3
+ - name: Scverse Community Forum
4
+ url: https://discourse.scverse.org/
5
+ about: If you have questions about "How to do X", please ask them here.
@@ -0,0 +1,11 @@
1
+ name: Feature request
2
+ description: Propose a new feature for scib-rapids
3
+ labels: enhancement
4
+ body:
5
+ - type: textarea
6
+ id: description
7
+ attributes:
8
+ label: Description of feature
9
+ description: Please describe your suggestion for a new feature. It might help to describe a problem or use case, plus any alternatives that you have considered.
10
+ validations:
11
+ required: true
@@ -0,0 +1,29 @@
1
+ name: Build
2
+
3
+ on:
4
+ push:
5
+ branches: [main]
6
+ pull_request:
7
+ branches: [main]
8
+
9
+ concurrency:
10
+ group: ${{ github.workflow }}-${{ github.ref }}
11
+ cancel-in-progress: true
12
+
13
+ jobs:
14
+ package:
15
+ runs-on: ubuntu-latest
16
+ steps:
17
+ - uses: actions/checkout@v4
18
+ - name: Set up Python 3.12
19
+ uses: actions/setup-python@v5
20
+ with:
21
+ python-version: "3.12"
22
+ cache: "pip"
23
+ cache-dependency-path: "**/pyproject.toml"
24
+ - name: Install build dependencies
25
+ run: python -m pip install --upgrade pip wheel twine build
26
+ - name: Build package
27
+ run: python -m build
28
+ - name: Check package
29
+ run: twine check --strict dist/*.whl
@@ -0,0 +1,29 @@
1
+ name: Release
2
+
3
+ on:
4
+ release:
5
+ types: [published]
6
+
7
+ # Use "trusted publishing", see https://docs.pypi.org/trusted-publishers/
8
+ jobs:
9
+ release:
10
+ name: Upload release to PyPI
11
+ runs-on: ubuntu-latest
12
+ environment:
13
+ name: pypi
14
+ url: https://pypi.org/p/scib-rapids
15
+ permissions:
16
+ id-token: write # IMPORTANT: this permission is mandatory for trusted publishing
17
+ steps:
18
+ - uses: actions/checkout@v4
19
+ with:
20
+ filter: blob:none
21
+ fetch-depth: 0
22
+ - uses: actions/setup-python@v4
23
+ with:
24
+ python-version: "3.x"
25
+ cache: "pip"
26
+ - run: pip install build
27
+ - run: python -m build
28
+ - name: Publish package distributions to PyPI
29
+ uses: pypa/gh-action-pypi-publish@release/v1
@@ -0,0 +1,62 @@
1
+ name: Test
2
+
3
+ on:
4
+ push:
5
+ branches: [main]
6
+ pull_request:
7
+ branches: [main]
8
+
9
+ concurrency:
10
+ group: ${{ github.workflow }}-${{ github.ref }}
11
+ cancel-in-progress: true
12
+
13
+ jobs:
14
+ test:
15
+ runs-on: ${{ matrix.os }}
16
+ defaults:
17
+ run:
18
+ shell: bash -e {0} # -e to fail on error
19
+
20
+ strategy:
21
+ fail-fast: false
22
+ matrix:
23
+ os: [ubuntu-latest]
24
+ python: ["3.11", "3.12", "3.13"]
25
+
26
+ name: Integration
27
+
28
+ env:
29
+ OS: ${{ matrix.os }}
30
+ PYTHON: ${{ matrix.python }}
31
+
32
+ steps:
33
+ - uses: actions/checkout@v4
34
+ - name: Set up Python ${{ matrix.python }}
35
+ uses: actions/setup-python@v5
36
+ with:
37
+ python-version: ${{ matrix.python }}
38
+ cache: "pip"
39
+ cache-dependency-path: "**/pyproject.toml"
40
+
41
+ - name: Install test dependencies
42
+ run: |
43
+ python -m pip install --upgrade pip wheel
44
+
45
+ - name: Install dependencies
46
+ run: |
47
+ pip install ".[dev,test]"
48
+
49
+ - name: Test
50
+ env:
51
+ MPLBACKEND: agg
52
+ PLATFORM: ${{ matrix.os }}
53
+ DISPLAY: :42
54
+ run: |
55
+ coverage run -m pytest -v --color=yes
56
+ - name: Report coverage
57
+ run: |
58
+ coverage report
59
+ - name: Upload coverage
60
+ uses: codecov/codecov-action@v4
61
+ with:
62
+ token: ${{ secrets.CODECOV_TOKEN }}
@@ -0,0 +1,34 @@
1
+ # Temp files
2
+ .DS_Store
3
+ *~
4
+ buck-out/
5
+
6
+ # Compiled files
7
+ .venv/
8
+ .venv-*/
9
+ __pycache__/
10
+ .mypy_cache/
11
+ .ruff_cache/
12
+
13
+ # Distribution / packaging
14
+ /build/
15
+ /dist/
16
+ /*.egg-info/
17
+
18
+ # Tests and coverage
19
+ /.pytest_cache/
20
+ /.cache/
21
+ /data/
22
+
23
+ # docs
24
+ /docs/generated/
25
+ /docs/_build/
26
+
27
+ # IDEs
28
+ /.idea/
29
+ /.vscode/
30
+
31
+ # node
32
+ /node_modules/
33
+
34
+ docs/notebooks/data/
@@ -0,0 +1,46 @@
1
+ fail_fast: false
2
+ default_language_version:
3
+ python: python3
4
+ default_stages:
5
+ - pre-commit
6
+ - pre-push
7
+ minimum_pre_commit_version: 2.16.0
8
+ repos:
9
+ - repo: https://github.com/pre-commit/mirrors-prettier
10
+ rev: v4.0.0-alpha.8
11
+ hooks:
12
+ - id: prettier
13
+ - repo: https://github.com/astral-sh/ruff-pre-commit
14
+ rev: v0.15.6
15
+ hooks:
16
+ - id: ruff
17
+ types_or: [python, pyi, jupyter]
18
+ args: [--fix, --exit-non-zero-on-fix]
19
+ - id: ruff-format
20
+ types_or: [python, pyi, jupyter]
21
+ - repo: https://github.com/pre-commit/pre-commit-hooks
22
+ rev: v6.0.0
23
+ hooks:
24
+ - id: detect-private-key
25
+ - id: check-ast
26
+ - id: end-of-file-fixer
27
+ - id: mixed-line-ending
28
+ args: [--fix=lf]
29
+ - id: trailing-whitespace
30
+ - id: check-case-conflict
31
+ # Check that there are no merge conflicts (could be generated by template sync)
32
+ - id: check-merge-conflict
33
+ args: [--assume-in-merge]
34
+ - repo: local
35
+ hooks:
36
+ - id: forbid-to-commit
37
+ name: Don't commit rej files
38
+ entry: |
39
+ Cannot commit .rej files. These indicate merge conflicts that arise during automated template updates.
40
+ Fix the merge conflicts manually and remove the .rej files.
41
+ language: fail
42
+ files: '.*\.rej$'
43
+ - repo: https://github.com/kynan/nbstripout
44
+ rev: 0.9.1
45
+ hooks:
46
+ - id: nbstripout
@@ -0,0 +1,16 @@
1
+ # https://docs.readthedocs.io/en/stable/config-file/v2.html
2
+ version: 2
3
+ build:
4
+ os: ubuntu-20.04
5
+ tools:
6
+ python: "3.11"
7
+ sphinx:
8
+ configuration: docs/conf.py
9
+ # disable this for more lenient docs builds
10
+ fail_on_warning: false
11
+ python:
12
+ install:
13
+ - method: pip
14
+ path: .
15
+ extra_requirements:
16
+ - doc
@@ -0,0 +1,20 @@
1
+ # Changelog
2
+
3
+ All notable changes to this project will be documented in this file.
4
+
5
+ The format is based on [Keep a Changelog][],
6
+ and this project adheres to [Semantic Versioning][].
7
+
8
+ [keep a changelog]: https://keepachangelog.com/en/1.0.0/
9
+ [semantic versioning]: https://semver.org/spec/v2.0.0.html
10
+
11
+ ## 0.1.0 (unreleased)
12
+
13
+ ### Added
14
+
15
+ - Initial release with GPU-accelerated metrics using CuPy/RAPIDS.
16
+ - All metrics from scib-metrics ported: silhouette, LISI, kBET, NMI/ARI, graph connectivity, isolated labels, PCR comparison, BRAS.
17
+ - CuPy-based utility functions: cdist, pdist_squareform, PCA, KMeans, silhouette_samples, Simpson index.
18
+ - NeighborsResults dataclass with sparse graph properties.
19
+ - Unit tests validating correctness against scikit-learn.
20
+ - Benchmark test suite comparing runtime against scib-metrics.
@@ -0,0 +1,29 @@
1
+ BSD 3-Clause License
2
+
3
+ Copyright (c) 2026, Maarten de Vries
4
+ All rights reserved.
5
+
6
+ Redistribution and use in source and binary forms, with or without
7
+ modification, are permitted provided that the following conditions are met:
8
+
9
+ 1. Redistributions of source code must retain the above copyright notice, this
10
+ list of conditions and the following disclaimer.
11
+
12
+ 2. Redistributions in binary form must reproduce the above copyright notice,
13
+ this list of conditions and the following disclaimer in the documentation
14
+ and/or other materials provided with the distribution.
15
+
16
+ 3. Neither the name of the copyright holder nor the names of its
17
+ contributors may be used to endorse or promote products derived from
18
+ this software without specific prior written permission.
19
+
20
+ THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
21
+ AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
22
+ IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
23
+ DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
24
+ FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
25
+ DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
26
+ SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
27
+ CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
28
+ OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
29
+ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
@@ -0,0 +1,155 @@
1
+ Metadata-Version: 2.4
2
+ Name: scib-rapids
3
+ Version: 0.1.0
4
+ Summary: GPU-accelerated single-cell integration benchmarking metrics using RAPIDS (cuML, CuPy)
5
+ Project-URL: Documentation, https://scib-rapids.readthedocs.io/
6
+ Project-URL: Source, https://github.com/maarten-devries/scib-rapids
7
+ Project-URL: Home-page, https://github.com/maarten-devries/scib-rapids
8
+ Author: Maarten de Vries
9
+ Maintainer: Maarten de Vries
10
+ License: BSD 3-Clause License
11
+
12
+ Copyright (c) 2026, Maarten de Vries
13
+ All rights reserved.
14
+
15
+ Redistribution and use in source and binary forms, with or without
16
+ modification, are permitted provided that the following conditions are met:
17
+
18
+ 1. Redistributions of source code must retain the above copyright notice, this
19
+ list of conditions and the following disclaimer.
20
+
21
+ 2. Redistributions in binary form must reproduce the above copyright notice,
22
+ this list of conditions and the following disclaimer in the documentation
23
+ and/or other materials provided with the distribution.
24
+
25
+ 3. Neither the name of the copyright holder nor the names of its
26
+ contributors may be used to endorse or promote products derived from
27
+ this software without specific prior written permission.
28
+
29
+ THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
30
+ AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
31
+ IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
32
+ DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
33
+ FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
34
+ DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
35
+ SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
36
+ CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
37
+ OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
38
+ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
39
+ License-File: LICENSE
40
+ Requires-Python: >=3.11
41
+ Requires-Dist: anndata
42
+ Requires-Dist: cupy-cuda12x>=13.0
43
+ Requires-Dist: igraph>0.9.0
44
+ Requires-Dist: numpy
45
+ Requires-Dist: pandas
46
+ Requires-Dist: pynndescent
47
+ Requires-Dist: scikit-learn
48
+ Requires-Dist: scipy
49
+ Requires-Dist: umap-learn>=0.5.0
50
+ Provides-Extra: dev
51
+ Requires-Dist: pre-commit; extra == 'dev'
52
+ Requires-Dist: twine>=4.0.2; extra == 'dev'
53
+ Provides-Extra: doc
54
+ Requires-Dist: ipykernel; extra == 'doc'
55
+ Requires-Dist: ipython; extra == 'doc'
56
+ Requires-Dist: myst-nb; extra == 'doc'
57
+ Requires-Dist: pybtex-docutils>=1.0.0; extra == 'doc'
58
+ Requires-Dist: scanpydoc[typehints]>=0.7.4; extra == 'doc'
59
+ Requires-Dist: sphinx-book-theme>=1.0; extra == 'doc'
60
+ Requires-Dist: sphinx-copybutton; extra == 'doc'
61
+ Requires-Dist: sphinx>=4; extra == 'doc'
62
+ Requires-Dist: sphinxcontrib-bibtex>=2.6; extra == 'doc'
63
+ Requires-Dist: sphinxext-opengraph; extra == 'doc'
64
+ Provides-Extra: test
65
+ Requires-Dist: coverage; extra == 'test'
66
+ Requires-Dist: harmonypy; extra == 'test'
67
+ Requires-Dist: joblib; extra == 'test'
68
+ Requires-Dist: pytest; extra == 'test'
69
+ Requires-Dist: scib-metrics>=0.5; extra == 'test'
70
+ Description-Content-Type: text/markdown
71
+
72
+ # scib-rapids
73
+
74
+ [![PyPI][badge-pypi]][link-pypi]
75
+ [![Docs][badge-docs]][link-docs]
76
+ [![Build][badge-build]][link-build]
77
+ [![Coverage][badge-cov]][link-cov]
78
+ [![Discourse][badge-discourse]][link-discourse]
79
+ [![Chat][badge-zulip]][link-zulip]
80
+
81
+ [badge-pypi]: https://img.shields.io/pypi/v/scib-rapids.svg
82
+ [link-pypi]: https://pypi.org/project/scib-rapids
83
+ [badge-docs]: https://readthedocs.org/projects/scib-rapids/badge/?version=latest
84
+ [link-docs]: https://scib-rapids.readthedocs.io/en/latest/?badge=latest
85
+ [badge-build]: https://github.com/maarten-devries/scib-rapids/actions/workflows/test.yaml/badge.svg
86
+ [link-build]: https://github.com/maarten-devries/scib-rapids/actions/workflows/test.yaml/
87
+ [badge-cov]: https://codecov.io/gh/maarten-devries/scib-rapids/branch/main/graph/badge.svg
88
+ [link-cov]: https://codecov.io/gh/maarten-devries/scib-rapids
89
+ [badge-discourse]: https://img.shields.io/discourse/posts?color=yellow&logo=discourse&server=https%3A%2F%2Fdiscourse.scverse.org
90
+ [link-discourse]: https://discourse.scverse.org/
91
+ [badge-zulip]: https://img.shields.io/badge/zulip-join_chat-brightgreen.svg
92
+ [link-zulip]: https://scverse.zulipchat.com/
93
+
94
+ GPU-accelerated metrics for benchmarking single-cell integration outputs using RAPIDS (cuML, CuPy).
95
+
96
+ This package provides the same metrics as [scib-metrics](https://github.com/YosefLab/scib-metrics) but replaces JAX with [RAPIDS](https://rapids.ai/) (CuPy, cuML) for GPU acceleration. All implementations leverage CuPy for device-level computation on NVIDIA GPUs.
97
+
98
+ ## Metrics
99
+
100
+ - **Silhouette**: `silhouette_label`, `silhouette_batch`, `bras`
101
+ - **LISI**: `lisi_knn`, `ilisi_knn`, `clisi_knn`
102
+ - **kBET**: `kbet`, `kbet_per_label`
103
+ - **Clustering**: `nmi_ari_cluster_labels_kmeans`, `nmi_ari_cluster_labels_leiden`
104
+ - **Graph connectivity**: `graph_connectivity`
105
+ - **Isolated labels**: `isolated_labels`
106
+ - **PCR comparison**: `pcr_comparison`
107
+
108
+ ## Getting started
109
+
110
+ Please refer to the [documentation][link-docs].
111
+
112
+ ## Installation
113
+
114
+ You need to have Python 3.11 or newer and a CUDA-capable GPU. We recommend installing in a [conda](https://docs.conda.io/en/latest/miniconda.html) environment with RAPIDS pre-installed.
115
+
116
+ 1. Install the latest release on PyPI:
117
+
118
+ ```bash
119
+ pip install scib-rapids
120
+ ```
121
+
122
+ 2. Install the latest development version:
123
+
124
+ ```bash
125
+ pip install git+https://github.com/maarten-devries/scib-rapids.git@main
126
+ ```
127
+
128
+ ## Release notes
129
+
130
+ See the [changelog][changelog].
131
+
132
+ ## Contact
133
+
134
+ For questions and help requests, you can reach out in the [scverse Discourse][link-discourse].
135
+ If you found a bug, please use the [issue tracker][issue-tracker].
136
+
137
+ ## Citation
138
+
139
+ If you use `scib-rapids`, please cite the original single-cell integration benchmarking work:
140
+
141
+ ```bibtex
142
+ @article{luecken2022benchmarking,
143
+ title={Benchmarking atlas-level data integration in single-cell genomics},
144
+ author={Luecken, Malte D and B{\"u}ttner, Maren and Chaichoompu, Kridsadakorn and Danese, Anna and Interlandi, Marta and M{\"u}ller, Michaela F and Strobl, Daniel C and Zappia, Luke and Dugas, Martin and Colom{\'e}-Tatch{\'e}, Maria and others},
145
+ journal={Nature methods},
146
+ volume={19},
147
+ number={1},
148
+ pages={41--50},
149
+ year={2022},
150
+ publisher={Nature Publishing Group}
151
+ }
152
+ ```
153
+
154
+ [issue-tracker]: https://github.com/maarten-devries/scib-rapids/issues
155
+ [changelog]: https://scib-rapids.readthedocs.io/en/latest/changelog.html
@@ -0,0 +1,84 @@
1
+ # scib-rapids
2
+
3
+ [![PyPI][badge-pypi]][link-pypi]
4
+ [![Docs][badge-docs]][link-docs]
5
+ [![Build][badge-build]][link-build]
6
+ [![Coverage][badge-cov]][link-cov]
7
+ [![Discourse][badge-discourse]][link-discourse]
8
+ [![Chat][badge-zulip]][link-zulip]
9
+
10
+ [badge-pypi]: https://img.shields.io/pypi/v/scib-rapids.svg
11
+ [link-pypi]: https://pypi.org/project/scib-rapids
12
+ [badge-docs]: https://readthedocs.org/projects/scib-rapids/badge/?version=latest
13
+ [link-docs]: https://scib-rapids.readthedocs.io/en/latest/?badge=latest
14
+ [badge-build]: https://github.com/maarten-devries/scib-rapids/actions/workflows/test.yaml/badge.svg
15
+ [link-build]: https://github.com/maarten-devries/scib-rapids/actions/workflows/test.yaml/
16
+ [badge-cov]: https://codecov.io/gh/maarten-devries/scib-rapids/branch/main/graph/badge.svg
17
+ [link-cov]: https://codecov.io/gh/maarten-devries/scib-rapids
18
+ [badge-discourse]: https://img.shields.io/discourse/posts?color=yellow&logo=discourse&server=https%3A%2F%2Fdiscourse.scverse.org
19
+ [link-discourse]: https://discourse.scverse.org/
20
+ [badge-zulip]: https://img.shields.io/badge/zulip-join_chat-brightgreen.svg
21
+ [link-zulip]: https://scverse.zulipchat.com/
22
+
23
+ GPU-accelerated metrics for benchmarking single-cell integration outputs using RAPIDS (cuML, CuPy).
24
+
25
+ This package provides the same metrics as [scib-metrics](https://github.com/YosefLab/scib-metrics) but replaces JAX with [RAPIDS](https://rapids.ai/) (CuPy, cuML) for GPU acceleration. All implementations leverage CuPy for device-level computation on NVIDIA GPUs.
26
+
27
+ ## Metrics
28
+
29
+ - **Silhouette**: `silhouette_label`, `silhouette_batch`, `bras`
30
+ - **LISI**: `lisi_knn`, `ilisi_knn`, `clisi_knn`
31
+ - **kBET**: `kbet`, `kbet_per_label`
32
+ - **Clustering**: `nmi_ari_cluster_labels_kmeans`, `nmi_ari_cluster_labels_leiden`
33
+ - **Graph connectivity**: `graph_connectivity`
34
+ - **Isolated labels**: `isolated_labels`
35
+ - **PCR comparison**: `pcr_comparison`
36
+
37
+ ## Getting started
38
+
39
+ Please refer to the [documentation][link-docs].
40
+
41
+ ## Installation
42
+
43
+ You need to have Python 3.11 or newer and a CUDA-capable GPU. We recommend installing in a [conda](https://docs.conda.io/en/latest/miniconda.html) environment with RAPIDS pre-installed.
44
+
45
+ 1. Install the latest release on PyPI:
46
+
47
+ ```bash
48
+ pip install scib-rapids
49
+ ```
50
+
51
+ 2. Install the latest development version:
52
+
53
+ ```bash
54
+ pip install git+https://github.com/maarten-devries/scib-rapids.git@main
55
+ ```
56
+
57
+ ## Release notes
58
+
59
+ See the [changelog][changelog].
60
+
61
+ ## Contact
62
+
63
+ For questions and help requests, you can reach out in the [scverse Discourse][link-discourse].
64
+ If you found a bug, please use the [issue tracker][issue-tracker].
65
+
66
+ ## Citation
67
+
68
+ If you use `scib-rapids`, please cite the original single-cell integration benchmarking work:
69
+
70
+ ```bibtex
71
+ @article{luecken2022benchmarking,
72
+ title={Benchmarking atlas-level data integration in single-cell genomics},
73
+ author={Luecken, Malte D and B{\"u}ttner, Maren and Chaichoompu, Kridsadakorn and Danese, Anna and Interlandi, Marta and M{\"u}ller, Michaela F and Strobl, Daniel C and Zappia, Luke and Dugas, Martin and Colom{\'e}-Tatch{\'e}, Maria and others},
74
+ journal={Nature methods},
75
+ volume={19},
76
+ number={1},
77
+ pages={41--50},
78
+ year={2022},
79
+ publisher={Nature Publishing Group}
80
+ }
81
+ ```
82
+
83
+ [issue-tracker]: https://github.com/maarten-devries/scib-rapids/issues
84
+ [changelog]: https://scib-rapids.readthedocs.io/en/latest/changelog.html
@@ -0,0 +1,20 @@
1
+ # Minimal makefile for Sphinx documentation
2
+ #
3
+
4
+ # You can set these variables from the command line, and also
5
+ # from the environment for the first two.
6
+ SPHINXOPTS ?=
7
+ SPHINXBUILD ?= sphinx-build
8
+ SOURCEDIR = .
9
+ BUILDDIR = _build
10
+
11
+ # Put it first so that "make" without argument is like "make help".
12
+ help:
13
+ @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
14
+
15
+ .PHONY: help Makefile
16
+
17
+ # Catch-all target: route all unknown targets to Sphinx using the new
18
+ # "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS).
19
+ %: Makefile
20
+ @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
@@ -0,0 +1,4 @@
1
+ /* Reduce the font size in data frames - See https://github.com/scverse/cookiecutter-scverse/issues/193 */
2
+ div.cell_output table.dataframe {
3
+ font-size: 0.8em;
4
+ }