Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "RDKit" keyword
orderly 1.0.0
Extraction and cleaning of chemical reactions data from ORD6 versions - Latest release: 10 months ago - 2 dependent repositories - 52 downloads last month - 57 stars on GitHub - 2 maintainers
fgfinder 1.0.1
A package to identify functional groups in molecules.2 versions - Latest release: about 1 month ago - 44 downloads last month - 1 stars on GitHub - 1 maintainer
equilibrator-cheminfo 0.15.0
Light adapter classes around Open Babel, RDKit, and ChemAxon for the functionality needed in eQul...20 versions - Latest release: about 2 years ago - 1 dependent repositories - 201 downloads last month - 0 stars on GitLab.com - 2 maintainers
rdeditor 0.2.0
An RDKit based molecule editor using PySide8 versions - Latest release: 21 days ago - 327 downloads last month - 106 stars on GitHub - 1 maintainer
gradio-molgallery2d 1.1.0
A Gradio component designed for displaying a gallery of 2D molecular structures.3 versions - Latest release: 4 months ago - 24 downloads last month - 1 maintainer
rdmc 0.1.1
A light-weight software package with expertise in handling Reaction Data and Molecular (including...2 versions - Latest release: 7 months ago - 13 downloads last month - 20 stars on GitHub - 1 maintainer
nonadditivity 1.0.0
A program to find key complex patterns in SAR data1 version - Latest release: almost 3 years ago - 1 dependent repositories - 25 downloads last month - 18 stars on GitHub - 3 maintainers
molecular3dlengthdescriptors 1.1.0
A 3D conformational based molecular descriptor set.4 versions - Latest release: about 3 years ago - 1 dependent repositories - 13 downloads last month - 5 stars on GitHub - 1 maintainer
Top 9.8% on pypi.org
1 version - Latest release: about 2 years ago - 1 dependent repositories - 121 downloads last month - 176 stars on GitHub - 1 maintainer
espsim 0.0.1
Scoring of shape and ESP similarity with RDKit1 version - Latest release: about 2 years ago - 1 dependent repositories - 121 downloads last month - 176 stars on GitHub - 1 maintainer
Related Keywords
chemistry
3
Cheminformatics
3
cheminformatics
3
molecule
3
conformer
2
rdkit
2
reaction
1
SAR
1
MMP
1
Molecular
1
Descriptor
1
3D
1
Length
1
Machine Learning
1
3d
1
crystallography
1
descriptor
1
learning
1
machine
1
electrostatic potential
1
shape
1
similarity
1
ord-schema
1
ord-data
1
chemical-reactions
1
cleaning-script
1
data
1
Chemistry
1
OpenBabel
1
ChemAxon
1
Marvin
1
Open Babel
1
equilibrator
1
editor
1
pyside
1
2D Molecular Structure
1
Gallery
1
Molecular Structure
1
gradio-custom-component
1
gradio-template-gallery
1