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An analysis framework for modeling dynamical single-cell data with neural differential equations, most notably stochastic differential equations allow us to build generative models of single-cell dynamics.

Quickstart

Please see the scDiffEq website for a quickstart notebook: link

Install the development package

Install generally only takes a few seconds.

Using uv (recommended)

git clone https://github.com/scDiffEq/scDiffEq.git; cd ./scDiffEq;

# Install uv if you haven't already: curl -LsSf https://astral.sh/uv/install.sh | sh
uv sync

Using pip

git clone https://github.com/scDiffEq/scDiffEq.git; cd ./scDiffEq;

pip install -e .

Optional dependency groups

Extra Contents
docs Sphinx and theme packages for building the documentation
test pytest, for running the test suite
dev Jupyter, ipykernel, and pytest for interactive development
# Using uv
uv sync --extra docs

# Using pip
pip install -e ".[docs]"

Datasets

import scdiffeq as sdq

adata = sdq.datasets.larry()

Datasets are downloaded on first use and cached under <data_dir>/scdiffeq_data/. They are hosted on Zenodo (10.5281/zenodo.21947161); downloads need no authentication and are verified against the record's md5 checksums.

The record redistributes data published by other groups — please cite the original publications, listed on the data page and in the Zenodo record.

Main API

import scdiffeq as sdq

model = sdq.scDiffEq(adata=adata)

model.fit(train_epochs = 1500)

Built on

pytorch_logopytorch_lightning_logo neural_diffeqs_logo

System requirements

  • Developed on linux20.04 and MacOS (with Apple Silicon), using Python3.11.
  • Software dependencies are listed in pyproject.toml.
  • Tested with NVIDIA GPUs (A100, T4) and Apple Silicon. Most datasets likely only require an NVIDIA Tesla T4 (free in Google Colab).

Reproducibility

  • All results described in the manuscript detailing scDiffEq can be reproduced using notebooks in the companion repository: scdiffeq-analyses

Citation

@article{vinyard2025scdiffeq,
  title   = {Learning cell dynamics with neural differential equations},
  author  = {Vinyard, Michael E. and Rasmussen, Anders W. and Li, Ruitong
             and Klein, Allon M. and Getz, Gad and Pinello, Luca},
  journal = {Nature Machine Intelligence},
  volume  = {7},
  number  = {12},
  pages   = {1969--1984},
  year    = {2025},
  doi     = {10.1038/s42256-025-01150-3}
}

If you use the packaged datasets, please also cite their original publications (see the data page).

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