Projects in Awesome Lists tagged with cheminformatics-software
A curated list of projects in awesome lists tagged with cheminformatics-software .
https://github.com/aravindhnivas/chemxploreml
Machine learning desktop application for molecular property prediction and analysis
ai4science cheminformatics-software chemistry machine-learning molecular-property-prediction
Last synced: 09 May 2026
https://github.com/prospero1988/logd_predictor
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
13c-nmr 1h-nmr cheminformatics cheminformatics-software chilogd deep-learning drug-discovery fingerprint gui logd machine-learning neural-networks nmr nmr-data nmr-spectroscopy optuna pytorch qspr rdkit
Last synced: 19 May 2026
