Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About
Search results for molecular descriptors
molecular-descriptors
x
7 search results found
Padelpy
⭐
146
A Python wrapper for PaDEL-Descriptor software
Rcpi
⭐
28
Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
Whales_descriptors
⭐
22
python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
Spms
⭐
10
A Molecular Stereostructure Descriptor based on Spherical Projection
Spoc
⭐
8
An integrated Python package for molecular descriptor generation, data processing, model training, and hyper-parameter optimization.
Qed
⭐
8
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
Alvadescpy
⭐
7
A Python wrapper for alvaDesc software
Related Searches
Python Molecular Descriptors (9)
Molecule Molecular Descriptors (4)
Machine Learning Molecular Descriptors (4)
Cheminformatics Molecular Descriptors (3)
1-7 of 7 search results
Privacy
|
About
|
Terms
|
Follow Us On Twitter
Copyright 2018-2024 Awesome Open Source. All rights reserved.
