| Name | Version | Summary | date |
|---|---|---|---|
| ChemLogic | 0.1.1 | ChemLogic is a neurosymbolic framework that integrates relational logic syntax with various graph neural network (GNN) architectures to model chemical knowledge. It encodes functional groups and molecular subgraph patterns into a differentiable, explainable architecture, enabling the construction of interpretable and modular GNN-based models for chemical reasoning. | 2025-07-11 19:48:37 |
| ugropy | 3.0.0 | Get UNIFAC functional groups of PubChem compounds or SMILES representation. | 2025-02-20 17:41:53 |
| MASSIVEChem | 6.0 | MASSIVEChem is a pip-installable package for analytical chemistry. It simulates molecule mass spectra and graphically displays them. It includes tools like a functional group finder and unsaturation calculator to aid chemical analysis. | 2024-05-29 18:16:59 |
| hour | day | week | total |
|---|---|---|---|
| 112 | 2194 | 10293 | 303889 |