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+ "\u001b[?25hBuilding wheels for collected packages: docrep\n",
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+ " Building wheel for docrep (setup.py) ... \u001b[?25ldone\n",
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+ "\u001b[?25h Created wheel for docrep: filename=docrep-0.3.2-py3-none-any.whl size=19971 sha256=258fce8926b494b98881dbea4108cc53884fb38800dfa648b7ac3a49087a8973\n",
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+ " Stored in directory: /root/.cache/pip/wheels/d6/19/ee/0a6a1793d91c449563b49ccab57ce52da3e6fab7614836bd8c\n",
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+ "Installing collected packages: pyro-api, nvidia-cusparselt-cu13, mpmath, cuda-toolkit, triton, sympy, setuptools, scikit-misc, propcache, opt-einsum, nvidia-nvtx, nvidia-nvshmem-cu13, nvidia-nvjitlink, nvidia-nccl-cu13, nvidia-curand, nvidia-cufile, nvidia-cuda-runtime, nvidia-cuda-nvrtc, nvidia-cuda-cupti, nvidia-cublas, multidict, ml-collections, mdurl, lightning-utilities, fsspec, frozenlist, filelock, docrep, cuda-pathfinder, aiohappyeyeballs, yarl, sparse, nvidia-cusparse, nvidia-cufft, nvidia-cudnn-cu13, markdown-it-py, cuda-bindings, aiosignal, xarray, rich, nvidia-cusolver, aiohttp, mudata, torch, torchmetrics, pyro-ppl, pytorch-lightning, lightning, scvi-tools\n",
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+ " Attempting uninstall: setuptools\n",
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+ " Found existing installation: setuptools 82.0.1\n",
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+ "Successfully installed aiohappyeyeballs-2.6.1 aiohttp-3.13.5 aiosignal-1.4.0 cuda-bindings-13.2.0 cuda-pathfinder-1.5.2 cuda-toolkit-13.0.2 docrep-0.3.2 filelock-3.25.2 frozenlist-1.8.0 fsspec-2026.3.0 lightning-2.6.1 lightning-utilities-0.15.3 markdown-it-py-4.0.0 mdurl-0.1.2 ml-collections-1.1.0 mpmath-1.3.0 mudata-0.3.3 multidict-6.7.1 nvidia-cublas-13.1.0.3 nvidia-cuda-cupti-13.0.85 nvidia-cuda-nvrtc-13.0.88 nvidia-cuda-runtime-13.0.96 nvidia-cudnn-cu13-9.19.0.56 nvidia-cufft-12.0.0.61 nvidia-cufile-1.15.1.6 nvidia-curand-10.4.0.35 nvidia-cusolver-12.0.4.66 nvidia-cusparse-12.6.3.3 nvidia-cusparselt-cu13-0.8.0 nvidia-nccl-cu13-2.28.9 nvidia-nvjitlink-13.0.88 nvidia-nvshmem-cu13-3.4.5 nvidia-nvtx-13.0.85 opt-einsum-3.4.0 propcache-0.4.1 pyro-api-0.1.2 pyro-ppl-1.9.1 pytorch-lightning-2.6.1 rich-14.3.3 scikit-misc-0.5.2 scvi-tools-1.4.2 setuptools-81.0.0 sparse-0.18.0 sympy-1.14.0 torch-2.11.0 torchmetrics-1.9.0 triton-3.6.0 xarray-2026.2.0 yarl-1.23.0\n",
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+ "\u001b[33mWARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv\u001b[0m\u001b[33m\n",
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+ "\u001b[33mWARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv\u001b[0m\u001b[33m\n",
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+ "\u001b[33mWARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv\u001b[0m\u001b[33m\n",
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+ "\u001b[0m"
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+ ]
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+ },
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  {
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  "name": "stderr",
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  "output_type": "stream",
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  "text": [
 
 
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  "Seed set to 7\n"
482
  ]
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  },
 
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  "name": "stdout",
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  "output_type": "stream",
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  "text": [
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+ "Kernel python: /usr/bin/python3\n",
489
+ "Project root: /root/final\n",
490
+ "Data root: /root/final/data/scPerturb\n",
491
+ "Metadata path: /root/final/data/processed/scPerturb/cell_metadata_standardized.csv\n",
492
+ "Output dir: /root/final/data/processed/scPerturb/latent_space\n",
493
+ "Figure dir: /root/final/data/processed/scPerturb/latent_space/figures\n",
494
  "scanpy version: 1.12\n",
495
  "scvi-tools version: 1.4.2\n",
496
+ "torch version: 2.11.0+cu130\n",
497
+ "torch.cuda.is_available: True\n",
498
+ "torch.backends.mps.is_available: False\n",
499
+ "SCVI accelerator/devices: gpu/1\n"
500
  ]
501
  }
502
  ],
503
  "source": [
504
+ "! pip install scanpy\n",
505
+ "! pip install scvi-tools\n",
506
+ "! pip install anndata\n",
507
+ "! pip install pandas\n",
508
+ "! pip install scipy\n",
509
+ "! pip install scikit-learn\n",
510
+ "! pip install torch\n",
511
+ "! pip install matplotlib\n",
512
  "from __future__ import annotations\n",
513
  "\n",
514
  "from pathlib import Path\n",
 
608
  },
609
  {
610
  "cell_type": "code",
611
+ "execution_count": 2,
612
  "id": "metadata-selection",
613
  "metadata": {},
614
  "outputs": [
 
691
  "0 0.002774 [CRISPR] "
692
  ]
693
  },
694
+ "execution_count": 2,
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  "metadata": {},
696
  "output_type": "execute_result"
697
  }
 
744
  },
745
  {
746
  "cell_type": "code",
747
+ "execution_count": 3,
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  "id": "helpers",
749
  "metadata": {},
750
  "outputs": [],
 
853
  },
854
  {
855
  "cell_type": "code",
856
+ "execution_count": 4,
857
  "id": "gene-space-build",
858
  "metadata": {},
859
  "outputs": [
 
950
  "ENSG00000187608 ENSG00000187608 2946.0 2180 ISG15"
951
  ]
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  },
953
+ "execution_count": 4,
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  "metadata": {},
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  "output_type": "execute_result"
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  }
 
1668
  },
1669
  {
1670
  "cell_type": "code",
1671
+ "execution_count": 5,
1672
  "id": "36db668b",
1673
  "metadata": {},
1674
  "outputs": [
 
1677
  "output_type": "stream",
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  "text": [
1679
  "[Step 1/11] Read dataset file\n",
1680
+ "Reading dataset: /root/final/data/scPerturb/rna_protein/ReplogleWeissman2022_K562_essential.h5ad\n",
1681
  "[FULL_RUN] Loaded full adata: n_obs=310385, n_vars=8563\n",
1682
  "[Step 2/11] Identify key metadata columns\n",
1683
  "obs columns count: 24\n",
 
1694
  "[FULL_RUN] Using all filtered cells: 310385\n",
1695
  "[Step 6/11] Normalize and log-transform expression\n",
1696
  "post-log1p matrix shape: (310385, 8563)\n",
1697
+ "[Step 7/11] Select HVGs\n",
1698
+ "HVG method: scanpy.seurat_v3 + layer=counts\n",
1699
+ "HVG selected: 3000\n",
1700
+ "[Step 8/11] Build target-gene and feature-gene masks\n",
1701
+ "target genes total: 2056\n",
1702
+ "target genes present in var: 1866\n",
1703
+ "feature genes total: 4334\n",
1704
+ "[Step 9/11] Build gene-level train/val/test split\n",
1705
+ "genes with split labels: 2056\n",
1706
+ "split counts:\n",
1707
+ "split\n",
1708
+ "train 248343\n",
1709
+ "test 33235\n",
1710
+ "val 28807\n",
1711
+ "Name: count, dtype: int64\n",
1712
+ "[Step 10/11] Restrict to feature genes\n",
1713
+ "genes filtered: 8563 -> 4334\n",
1714
+ "Saved prediction-ready h5ad: /root/final/data/processed/scPerturb/prediction_ready/replogle_k562_essential_single_gene_prediction_ready_full.h5ad\n",
1715
+ "Summary:\n",
1716
+ "dataset ReplogleWeissman2022_K562_essential\n",
1717
+ "n_cells 310385\n",
1718
+ "n_genes 4334\n",
1719
+ "n_controls 10816\n",
1720
+ "n_single_perturbed 299694\n",
1721
+ "split_counts {'train': 248343, 'test': 33235, 'val': 28807}\n",
1722
+ "hvg_method scanpy.seurat_v3 + layer=counts\n",
1723
+ "hvg_n_top_genes 3000\n",
1724
+ "n_target_genes_total 2056\n",
1725
+ "n_target_genes_present 1866\n",
1726
+ "n_feature_genes 4334\n",
1727
+ "dtype: object\n"
1728
  ]
1729
  }
1730
  ],
 
2009
  ],
2010
  "metadata": {
2011
  "kernelspec": {
2012
+ "display_name": "Python 3",
2013
  "language": "python",
2014
  "name": "python3"
2015
  },
 
2023
  "name": "python",
2024
  "nbconvert_exporter": "python",
2025
  "pygments_lexer": "ipython3",
2026
+ "version": "3.12.3"
2027
  }
2028
  },
2029
  "nbformat": 4,
src/data/replogle_k562_essential_scdfm_preprocess.ipynb CHANGED
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