MolecularGraph.jl Files

Graph-based molecule modeling toolkit for cheminformatics

This is an exact mirror of the MolecularGraph.jl project, hosted at https://github.com/mojaie/MolecularGraph.jl. SourceForge is not affiliated with MolecularGraph.jl. For more information, see the SourceForge Open Source Mirror Directory.

The interactive file manager requires Javascript. Please enable it or use sftp or scp.
You may still browse the files here.

Name	Modified	Size	InfoDownloads / Week
v0.22.0	2025-10-19		0
v0.21.1	2025-08-30		0
v0.21.0	2025-08-27		0
v0.20.2	2025-07-06		0
v0.20.1	2025-06-24		0
Totals: 5 Items			0

You Might Also Like

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

Start Free

Recommended Projects

Open Drug Discovery Toolkit (ODDT)
Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and makes extensive use of Numpy/Scipy. You can use any supported toolkit united under common API (for reference see Pybel or Cinfony). All...
Avalon Cheminformatics Toolkit
The Avalon Cheminformatics Toolkit contains tools to render and canonicalize SMILES and manipulate MOL file and related formats as well as structure fingerprinting.
SMSD
SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).
Chem-Parser
Chem-Parser is an intuitive and efficient utility designed to streamline the data curation process for QSAR (Quantitative Structure–Activity Relationship) modeling and cheminformatics workflows. This versatile tool allows users to draw chemical structures, parse multiple SMILES strings, and...
chemkit
chemkit is an open source software library for chemistry applications, particularly in the areas of cheminformatics, molecular visualization and molecular modeling.

MolecularGraph.jl Files

Graph-based molecule modeling toolkit for cheminformatics

Get an email when there's a new version of MolecularGraph.jl