Projects in Awesome Lists tagged with logd
A curated list of projects in awesome lists tagged with logd .
https://github.com/xupisco/logd.me
Your personal and friendly life log!
crm django facebook logd logs open-source personal
Last synced: 29 Mar 2025
https://github.com/prospero1988/demiurge
Demiurge is a Python tool for generating ML input data from simulated ¹H/¹³C NMR spectra or ECFP4 fingerprints. It uses local NMRshiftDB2 prediction and RDKit, producing ML-ready CSVs from SMILES in minutes.
cheminformatics chemistry data-preprocessing deep-learning ecfp4 feature-extraction input-generation java logd machine-learning molfile nmr nmr-spectroscopy nmrshift-db open-source prediction python rdkit
Last synced: 18 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
https://github.com/prospero1988/nmr-ai_part3
Machine learning and neural network models for CHI logD prediction based on ¹H and ¹³C NMR spectral data. Supplementary code for the third paper in the "From NMR to AI" series.
chemoinformatics cnn logd machine-learning mlflow mlp neural-network nmr nmr-spectroscopy optuna python3 pytorch regression svr xgboost
Last synced: 19 Apr 2026