PyDigger - unearthing stuff about Python


NameVersionSummarydate
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
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