RDKit Files

Open-Source Cheminformatics and Machine Learning

Brought to you by: glandrum

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

Name	Modified	InfoDownloads / Week
rdkit	2016-04-19	7
documentation	2009-04-03	0
OldFiles	2009-04-03	0
Totals: 3 Items		7

You Might Also Like

Gen AI apps are built with MongoDB Atlas

Build gen AI apps with an all-in-one modern database: MongoDB Atlas

MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.

Start Free

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

Recommended Projects

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...
JChemPaint Applet and Swing Application
The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io
luscus
Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron...
Charmol
Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: -...
NMRShiftDB
NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.

RDKit Files

Open-Source Cheminformatics and Machine Learning

Get an email when there's a new version of RDKit