| Name | Version | Summary | date |
| rdeditor |
0.5.0.1 |
An RDKit based molecule editor using PySide |
2024-09-17 07:55:02 |
| smipoly |
0.1.0 |
rule-based virtual polymer library generator |
2024-05-06 02:32:04 |
| FGFinder |
1.0.0 |
A package to identify functional groups in molecules. |
2024-04-12 19:06:27 |
| gradio-molgallery2d |
1.1.0 |
A Gradio component designed for displaying a gallery of 2D molecular structures. |
2024-02-07 10:53:55 |
| RDMC |
0.1.0 |
A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers. |
2023-09-14 03:24:48 |
| rdfreader |
1.0.2 |
Read the full contents of CTAB .rdf files in python. Captures RXN and MOL record using RDKit and reads additional data fields (including solvents/catalysts/agents). |
2023-08-03 09:13:46 |
| orderly |
0.1.2 |
Extraction and cleaning of chemical reactions data from ORD |
2023-08-01 20:51:17 |
| cheminftools |
0.1.4 |
A collection of tools for daily cheminformatics tasks. |
2023-06-08 22:06:26 |
| ScaffoldGraphDG |
1.1.8 |
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX for generating scaffold networks and scaffold trees. |
2023-01-20 07:33:49 |
| ScaffoldGraphNew |
1.1.5 |
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX for generating scaffold networks and scaffold trees. |
2023-01-10 15:19:54 |
| ScaffoldGraphReworked |
1.1.2 |
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX for generating scaffold networks and scaffold trees. |
2023-01-10 07:53:56 |
| global-chem-extensions |
1.0.3 |
|
2022-09-03 14:35:44 |