chemprop

Home of the official chemprop project

MIT

Pinned Repositories

chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.7k 37 524570
chemprop-v1-old-branches
Old branches based on old versions of Chemprop prior to v2.0.0
Language:Python1 1 00
chemprop-workshop-acs-fall2023
Notebooks and datasets for ACS Fall 2023 CATL workshop
Language:Jupyter Notebook7 1 00
chemprop_benchmark
Chemprop benchmarking scripts and data for v1
Language:Shell22 5 25

chemprop's Repositories

chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.7k 37 524570
chemprop/chemprop_benchmark
Chemprop benchmarking scripts and data for v1
Language:Shell22 5 25
chemprop/chemprop-workshop-acs-fall2023
Notebooks and datasets for ACS Fall 2023 CATL workshop
Language:Jupyter Notebook7 1 00
chemprop/chemprop-v1-old-branches
Old branches based on old versions of Chemprop prior to v2.0.0
Language:Python1 1 00