pypi.org : pka-predictor-moitessier
Graph-based pKa prediction for small molecules
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purl: pkg:pypi/pka-predictor-moitessier
Keywords:
pKa
, prediction
, GNN
, chemistry
, rdkit
License: GPL-3.0
Latest release: about 1 month ago
First release: 3 months ago
Downloads: 68 last month
Stars: 4 on GitHub
Forks: 0 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 9 days ago
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