Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
README.md		README.md
cdk2.sdf		cdk2.sdf
plot_chemicalspace.ipynb		plot_chemicalspace.ipynb
sample_script.ipynb		sample_script.ipynb

Repository files navigation

3dfp

Requirements

Numpy
RDKit
SciPy
mmh3
python_utilities

how to install

conda install -c sdaxen sdaxen_python_utilities
conda install -c keiserlab e3fp

About

No description, website, or topics provided.

Report repository

Releases

Packages

Contributors

Languages