14 dependents
Package Description Downloads/month
A Python toolbox to work with molecular similarity 49K
Workbench: An easy to use Python API for creating and deploying AWS SageMaker Mo... 22K
Scikit-learn compatible library for molecular fingerprints and chemoinformatics 20K
molfeat - the hub for all your molecular featurizers 9K
Fast Molecular Property Prediction with mordredcommunity 3K
A validation library for human olfactory psychophysics research. 2K
A Python toolbox to work with molecular similarity 2K
A python package for chemical space visualization. 1K
MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations fo... 1K
Deep learning for molecules and materials book 919
PolyMon 468
A python api to make lethal blood concentrations using amberNPS 435
Admetica is a command-line tool for making ADMET (Absorption, Distribution, Meta... 269
PEPPER is a package developed by the Fenner Labs for analyzing and modeling pers... 218