ecrl / padelpyLinks
A Python wrapper for PaDEL-Descriptor software
☆222Updated 9 months ago
Alternatives and similar repositories for padelpy
Users that are interested in padelpy are comparing it to the libraries listed below
Sorting:
- ChEMBL database structure pipelines☆229Updated 2 months ago
- Some useful RDKit functions☆214Updated 2 weeks ago
- Tutorials to learn how to work with the RDKit☆303Updated 2 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆272Updated last week
- Descriptor computation(chemistry) and (optional) storage for machine learning☆274Updated last year
- a molecular descriptor calculator☆455Updated last year
- Molecule Validation and Standardization☆180Updated 5 years ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆246Updated 2 years ago
- CReM: chemically reasonable mutations framework☆261Updated last month
- Scoring of shape and ESP similarity with RDKit