GitHub

iSIM-sigma by Miranda-Quintana group

Includes scripts and noteboos used for the publication.

Before fingerprint use, decompress them with gzip.

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
ecfp4		ecfp4
figures		figures
isim_sigma_results		isim_sigma_results
maccs		maccs
rdkit		rdkit
README.md		README.md
chembl_33_np.npy.gz		chembl_33_np.npy.gz
isim_comp.py		isim_comp.py
isim_sampling.py		isim_sampling.py
isim_sigma.py		isim_sigma.py
isim_sigma_RR.ipynb		isim_sigma_RR.ipynb
isim_sigma_chunks.py		isim_sigma_chunks.py
isim_sigma_example.ipynb		isim_sigma_example.ipynb
isim_sigma_sampling.ipynb		isim_sigma_sampling.ipynb
isim_sigma_size.py		isim_sigma_size.py
isim_utils.py		isim_utils.py

Provide feedback