openchemlib
Manipulate molecules
Latest release 7.3.0 - Updated - 32 stars
@wiris/mathtype-ckeditor5
MathType Web for CKEditor5 editor
Latest release 7.24.4 - Updated - 8 stars
org.openscience.cdk:cdk-silent
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-io
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
mendeleev
Pythonic periodic table of elements
Latest release 0.7.0 - Updated - 64 stars
chemprop
Molecular Property Prediction with Message Passing Neural Networks
Latest release 1.2.0 - Updated - 508 stars
org.openscience.cdk:cdk-interfaces
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-data
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-smiles
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
periodic-table
periodic elements data
Latest release 0.0.8 - Updated - 107 stars
PubChemPy
A simple Python wrapper around the PubChem PUG REST API.
Latest release 1.0.4 - Updated - 96 stars
qcelemental
Essentials for Quantum Chemistry.
Latest release 0.19.0 - Updated - 82 stars
@wiris/mathtype-html-integration-devkit
Allows to integrate Mathtype Web into any JavaScript HTML WYSIWYG rich text editor.
Latest release 1.4.5 - Updated - 8 stars
deepchem
Deep learning models for drug discovery, quantum chemistry, and the life sciences.
Latest release 2.6.0.dev20210421080146 - Updated - 2.89K stars
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an o...
Latest release 3.1.1 - Updated - 501 stars
org.openscience.cdk:cdk-sdg
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
avogadro
Avogadro provides analysis and data processing useful in computational chemistry, molecular model...
Latest release 1.93.1 - Updated - 165 stars
Indigo.Net
Universal cheminformatics toolkit
Latest release 1.4.3 - Updated - 139 stars
sumo
Heavy weight plotting tools for ab initio solid-state calculations
Latest release 2.2.2 - Updated - 86 stars
openchemlib
Manipulate molecules
Latest release v7.3.0 - Published - 32 stars
generator-cheminfo
Generator for the different cheminfo organizations
Latest release 4.10.2 - Updated - 5 stars
nanome
Python API for Nanome Plugins
Latest release 0.23.1 - Updated - 2 stars
deepchem-nightly
Deep learning models for drug discovery, quantum chemistry, and the life sciences.
Latest release 2.4.0rc1.dev20200708163747 - Updated - 2.89K stars
thermo
Chemical properties component of Chemical Engineering Design Library (ChEDL)
Latest release 0.2.3 - Updated - 285 stars
org.openscience.cdk:cdk-fingerprint
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-bundle
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-smsd
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-builder3d
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-renderextra
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
org.openscience.cdk:cdk-pdbcml
Modular library for Cheminformatics
Latest release 2.3 - Updated - 284 stars
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