| Name | Version | Summary | date |
| jcompoundmapper-pywrapper |
0.0.2 |
Python wrapper for jCompoundMapper molecular fingerprints |
2023-08-23 12:52:15 |
| pepsift |
0.0.2.post1 |
Identify peptides and derivatives from small molecule datasets |
2023-08-04 14:14:19 |
| mols2grid |
2.0.0 |
Interactive 2D small molecule viewer |
2023-07-29 18:15:29 |
| DeepMol |
1.0.2 |
DeepMol: a python-based machine and deep learning framework for drug discovery |
2023-07-13 15:33:52 |
| PaDEL-pywrapper |
1.0.4 |
Python wrapper for the PaDEL descriptors |
2023-07-04 17:52:42 |
| Signature-pywrapper |
0.0.2.post1 |
Python wrapper for signature molecular descriptors |
2023-07-04 17:38:45 |
| BlueDesc |
2008.10.3 |
BlueDesc - Molecular Descriptor Calculator |
2023-06-26 21:01:59 |
| pydebiaseddta |
0.1.0 |
Python library to improve generalizability of the drug-target prediction models via DebiasedDTA |
2023-06-19 09:13:46 |
| cheminftools |
0.1.4 |
A collection of tools for daily cheminformatics tasks. |
2023-06-08 22:06:26 |
| chemfiles |
0.10.4 |
Read and write computational chemistry files |
2023-05-23 10:49:17 |
| molplotly |
1.1.8 |
molplotly is an add-on to plotly built on RDKit which allows 2D images of molecules to be shown in scatterplots when hovering over the datapoints. |
2023-05-06 16:12:35 |
| mrl-pypi |
0.1.5 |
Molecular reinforcement learning |
2023-03-22 03:19:19 |
| sac2021 |
0.0.3 |
5th solution for Samsung AI Challenge for Scientific Discovery (2021) |
2023-03-10 09:10:37 |
| 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 |
| SmilesPE |
0.0.3 |
Tokenize SMILES with substructure units |
2020-04-07 22:12:03 |
| PubChemPy |
1.0.4 |
A simple Python wrapper around the PubChem PUG REST API. |
2017-04-11 18:36:23 |
| ChemDataExtractor |
1.3.0 |
A toolkit for extracting chemical information from the scientific literature. |
2017-02-03 00:12:05 |