GitHub topics: chemprop
MolecularAI/QSARtuna
QSARtuna: QSAR model building with the optuna framework
Language: Jupyter Notebook - Size: 106 MB - Last synced at: 2 months ago - Pushed at: 7 months ago - Stars: 115 - Forks: 17
KarolinaGustavsson/Antibiotics_Chemprop
Antibiotic discovery using graph deep learning, with Chemprop.
Language: Python - Size: 372 KB - Last synced at: 3 months ago - Pushed at: about 3 years ago - Stars: 5 - Forks: 2
shenwanxiang/ChemBench
MoleculeNet benchmark dataset & MolMapNet dataset
Language: HTML - Size: 126 MB - Last synced at: about 1 year ago - Pushed at: about 3 years ago - Stars: 59 - Forks: 17
asoyemi1/LCMelt
Prediction of Liquid Crystal Melting Points using the Chemprop model
Language: Python - Size: 1.34 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0
