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5 changes: 5 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -118,10 +118,15 @@ from tmap.utils.singlecell import from_anndata
|----------|-------|
| [01 Quick Start](notebooks/01_quickstart.ipynb) | End-to-end walkthrough |
| [02 MinHash Deep Dive](notebooks/02_minhash_deep_dive.ipynb) | Encoding methods and when to use each |
| [03 Legacy LSH Pipeline](notebooks/03_legacy_lsh_pipeline.ipynb) | Lower-level MinHash + LSHForest + layout workflow |
| [04 Notebook Widgets](notebooks/04_jscatter_demo.ipynb) | Selection, filtering, zoom, export |
| [05 Single-Cell](notebooks/05_single_cell.ipynb) | RNA-seq with PBMC 3k, pseudotime, UMAP comparison |
| [06 Metric Guide](notebooks/06_metric_guide.ipynb) | Choosing the right metric |
| [07 FAQ](notebooks/07_faq.ipynb) | Troubleshooting and common questions |
| [08 Cheminformatics](notebooks/08_cheminformatics.ipynb) | Molecules, fingerprints, SAR |
| [09 Protein Analysis](notebooks/09_protein_analysis.ipynb) | FASTA, ESM embeddings, AlphaFold |
| [11 Card Configuration](notebooks/11_card_configuration.ipynb) | Pinned card layout, fields, and links |
| [11 Default Params Benchmark](notebooks/11_default_params_benchmark.ipynb) | Defaults across dataset sizes and types |
| [12 USearch Jaccard](notebooks/12_usearch_jaccard.ipynb) | Binary Jaccard with USearch backend |

## Lower-Level Pipeline
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8 changes: 6 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ build-backend = "scikit_build_core.build"

[project]
name = "tmap2"
version = "0.1.0"
version = "0.2.0"
description = "Tree-based visualization for high-dimensional data"
readme = "README.md"
license = {text = "MIT"}
Expand All @@ -16,7 +16,7 @@ authors = [
{ name = "Alejandro Flores", email = "afloresep01@gmail.com" }
]
classifiers = [
"Development Status :: 3 - Alpha",
"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3",
Expand All @@ -39,8 +39,12 @@ dependencies = [

[project.optional-dependencies]
notebook = ["jupyter-scatter>=0.22.2"]
chemistry = ["rdkit>=2023.3"]
singlecell = ["anndata>=0.10"]
all = [
"jupyter-scatter>=0.22.2",
"rdkit>=2023.3",
"anndata>=0.10",
]
dev = [
"pytest>=7.0",
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17 changes: 15 additions & 2 deletions src/tmap/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -41,9 +41,16 @@ def _extend_package_path_for_extensions() -> None:
read_protein_csv,
sequence_properties,
)
from tmap.utils.singlecell import cell_metadata, from_anndata, marker_scores
from tmap.utils.singlecell import (
cell_metadata,
from_anndata,
marker_scores,
obs_to_numeric,
sample_obs_indices,
subset_anndata,
)

__version__ = "0.1.0"
__version__ = "0.2.0"

__all__ = [
"__version__",
Expand All @@ -59,6 +66,7 @@ def _extend_package_path_for_extensions() -> None:
"from_anndata",
"marker_scores",
"molecular_properties",
"obs_to_numeric",
"murcko_scaffolds",
"reaction_properties",
"parse_alignment",
Expand All @@ -70,6 +78,8 @@ def _extend_package_path_for_extensions() -> None:
"read_pdb",
"read_pdb_dir",
"read_protein_csv",
"sample_obs_indices",
"subset_anndata",
]

_LAZY_IMPORTS: dict[str, str] = {
Expand All @@ -84,6 +94,9 @@ def _extend_package_path_for_extensions() -> None:
"cell_metadata": "tmap.utils.singlecell",
"from_anndata": "tmap.utils.singlecell",
"marker_scores": "tmap.utils.singlecell",
"obs_to_numeric": "tmap.utils.singlecell",
"sample_obs_indices": "tmap.utils.singlecell",
"subset_anndata": "tmap.utils.singlecell",
"molecular_properties": "tmap.utils.chemistry",
"murcko_scaffolds": "tmap.utils.chemistry",
"reaction_properties": "tmap.utils.chemistry",
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