MolAD
Published:
MolAD
- Calculate molecular fingerprints/descriptors
- Method:
- Confidence Ellipse + PCA
- PCA + bounding box
- Similarity + Convex hull
Requirements
This module requires the following modules:
Installation
Clone this repository to use
Note
Updating…
Contributing
Please visit the Mol2DSimi repository. Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change. Please make sure to update tests as appropriate.