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
Parent folder
README.md	2025-06-24	563 Bytes	0
v0.20.1 source code.tar.gz	2025-06-24	1.5 MB	0
v0.20.1 source code.zip	2025-06-24	1.6 MB	0
Totals: 3 Items		3.1 MB	0

MolecularGraph v0.20.1

Diff since v0.20.0

The shortest path algorithm used inside sssr was specialized for typical molecular graph tasks and get more efficient.
Implemented Base.copy for MolGraph and MolProperty types (#131). Similar to copy(graph::SimpleGraph), this returns a deepcopy in effect, but far faster than deepcopy.
Fixed RDKit fingerprint options and added some method aliases.
MolProperty types are no longer mutable.
Fixed sdfilereader (#135)

Source: README.md, updated 2025-06-24

Other Useful Business Software

Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.

Try free now

Build Securely on Azure with Proven Frameworks

Lay a foundation for success with Tested Reference Architectures developed by Fortinet’s experts. Learn more in this white paper.

Moving to the cloud brings new challenges. How can you manage a larger attack surface while ensuring great network performance? Turn to Fortinet’s Tested Reference Architectures, blueprints for designing and securing cloud environments built by cybersecurity experts. Learn more and explore use cases in this white paper.

Download Now

Recommended Projects

AbstractAlgebra.jl
Generic abstract algebra functionality in pure Julia
Clonezilla
A partition and disk imaging/cloning program
KeePass
A lightweight and easy-to-use password manager
Apache OpenOffice
The free and Open Source productivity suite
7-Zip
A free file archiver for extremely high compression

MolecularGraph.jl Files

Graph-based molecule modeling toolkit for cheminformatics

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

MolecularGraph v0.20.1