Package Usage: conda: chemprop

This repository contains message passing neural networks for molecular property prediction as described in the paper Analyzing Learned Molecular Representations for Property Prediction and as used in the paper A Deep Learning Approach to Antibiotic Discovery.
6 versions
Latest release: almost 2 years ago

View more package details: https://packages.ecosyste.ms/registries/anaconda.org/packages/chemprop

View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/chemprop%2Fchemprop

Dependent Repos 8