logd

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Here are 6 public repositories matching this topic...

xupisco / logd.me

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Your personal and friendly life log!

open-source django facebook personal logs crm logd

Updated Jun 10, 2021
HTML

Prospero1988 / logD_predictor

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Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.

machine-learning gui deep-learning cheminformatics fingerprint pytorch neural-networks nmr drug-discovery rdkit logd nmr-spectroscopy qspr nmr-data optuna 1h-nmr cheminformatics-software 13c-nmr chilogd

Updated Nov 18, 2025
Python

Prospero1988 / NMR-AI_part3

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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.

machine-learning neural-network regression cnn python3 pytorch xgboost nmr mlp chemoinformatics logd nmr-spectroscopy svr mlflow optuna

Updated Nov 18, 2025
Python

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.