| Name | Version | Summary | date |
| prolif |
2.0.2 |
Interaction Fingerprints for protein-ligand complexes and more |
2024-03-06 23:38:18 |
| MLChemTools |
0.0.110000000 |
MLChemTools is a powerful Python package facilitating seamless integration of machine learning classifiers, regressors, and descriptor generators for efficient cheminformatics analysis. |
2024-02-27 18:44:40 |
| MolBokeh |
1.0.1 |
Simple package to display molecules images in bokeh interactive charts. |
2024-02-15 14:42:42 |
| moll |
0.1.12 |
|
2024-02-11 16:42:44 |
| SpectraFP |
1.2.3 |
A package to perform fingerprints from spectroscopy datas. |
2024-02-01 23:30:07 |
| pyADAqsar |
1.1.1 |
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation. |
2024-01-17 13:20:12 |
| CDK-pywrapper |
0.1.0 |
Python wrapper for CDK molecular descriptors and fingerprints |
2024-01-15 21:13:43 |
| moo-chem |
0.0.1 |
Molecule Overlap Optimizer (MOO) |
2023-12-20 13:42:36 |
| Pubsam |
0.4.0 |
Streamline interaction with the PubChem database. Retrieve and analyze chemical data effortlessly with Pubsam, exploring compounds, substances, assays, proteins, genes, and more. Designed for researchers, scientists, and developers, Pubsam provides a user-friendly interface to access and leverage PubChem’s wealth of information. Dive into molecular analysis, conduct virtual screenings, and unravel chemical features with ease. |
2023-12-15 04:54:15 |
| puZC |
0.0.111111 |
This Python package, PubChemAPI, simplifies the interaction with the PubChem database, allowing users to seamlessly retrieve information related to compounds, substances, assays, proteins, genes, and more. Whether you're a researcher, scientist, or developer, this package provides an easy-to-use interface to access a wealth of information stored in PubChem. |
2023-12-14 23:45:14 |
| Chemo-Genius-Explorer |
0.0.1 |
This Python package, Chemo_Genius_Explorer |
2023-12-14 05:13:32 |
| qsarify |
0.1.1 |
QSARify: A tool for QSAR model development |
2023-10-25 11:44:26 |
| smilesfeaturizer |
0.1.3 |
A Python package that automatically generates derived variables from a column with SMILES (Simplified Molecular-Input Line-Entry System). |
2023-10-11 09:34:00 |
| molzip |
0.9.1 |
An implementation of compression-based regression and classification for molecular SMILES. |
2023-09-25 20:19:04 |
| papyrus-structure-pipeline |
0.0.5 |
Papyrus Structure Pipeline |
2023-09-20 10:51:33 |
| pysmiles |
1.1.2 |
A lightweight SMILES reader and writer |
2023-09-19 10:55:09 |
| 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 |
| enumerate-smiles |
0.0.1.post1 |
Enumerate heterocycles, stereoisomers, tautomers and SMILES of molecules. |
2023-09-10 18:16:43 |
| 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 |