Name | Version | Summary | date |
ElMTreeIndex |
0.1.10 |
A class for performing knn similarity searches on datasets of chemical formula using the ElMD metric |
2024-03-21 23:15:42 |
ElMD |
0.5.13 |
An implementation of the Element movers distance for chemical similarity of ionic compositions |
2024-03-15 04:14:19 |
ChemoBiolysis |
0.0.11111111111 |
ChemoBiolysis: A Comprehensive Python Package for Chemical and Biological Analysis |
2024-03-14 19:48:21 |
PubChmAPI |
0.0.41 |
This Python package, PubChemAPI, simplifies the interaction with the PubChem database |
2024-03-12 08:07:01 |
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 |
deepmol |
1.1.2 |
DeepMol: a python-based machine and deep learning framework for drug discovery |
2024-02-27 16:49:13 |
mlchemad |
1.5.1 |
Applicability domains for cheminformactics. |
2024-02-23 10:10:34 |
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 |
molgraph |
0.6.5 |
Graph Neural Networks for Molecular Machine Learning |
2024-02-09 14:18:08 |
SpectraFP |
1.2.3 |
A package to perform fingerprints from spectroscopy datas. |
2024-02-01 23:30:07 |
MicrobeRX |
0.2.6 |
MicrobeRX is A tool for enzymatic reaction-based metabolite prediction in the gut microbiome. |
2024-01-31 10:29:29 |
chemdataextractor2 |
2.2.2 |
A toolkit for extracting chemical information from the scientific literature. |
2024-01-18 12:54:05 |
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 |
pybacting |
0.2.12 |
A python wrapper around Bacting |
2024-01-09 09:28:30 |
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 |