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

Secure remote access solution to your private network, in the cloud or on-prem.

Deliver secure remote access with OpenVPN.

OpenVPN is here to bring simple, flexible, and cost-effective secure remote access to companies of all sizes, regardless of where their resources are located.

Get started — no credit card required.

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
DeSmuME: Nintendo DS emulator
DeSmuME is a Nintendo DS emulator

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