Every day we show you a new quantum-mechanical calculation, which you can save to your computer as a MOL file for free and without any registration by clicking on the "Export MOL File to New Tab" button in the picture of the moving molecule below.

Our Mission

When we study chemistry, we come across molecules - such small entities that cannot be seen even with a very powerful optical microscope.

A quick and easy visual representation of molecules not only helps in teaching chemistry to schoolchildren and students, but also helps professional chemists find new drugs and plan organic synthesis.

We took all currently known molecules and calculated spatial structures for them.

Now we would like to present you the huge molecular base HugeMDB, which contains about 102 million molecules and about 1.7 billion spatial structures!

You can already search for any molecule in our database and even save the search result in a separate HTML so that, regardless of our database, you can show it to someone else.

Let's explore Huge MDB: https://www.multi-d.com/HugeMDB.html

What We Need & How Can You Help

We plan to further develop the Huge MDB, adding many convenient features to it.

Your feasible financial support will be used for the following steps: Please, support us. In this case, with your permission, we will add your name and country of residence to the list of those who supported the project, and this list will appear on our website.

We would be very thankful for your support!

Benefit for Everyone

We plan to always maintain this database completely free of charge, because knowledge should always be available to everyone!

Our project is designed to assist in teaching and research for:

Risks & Challenges

The huge MDB is already operational, so the project has no risks.

You can check all the functionality of the database right now by searching for known molecules.

Other Ways You Can Help

We will be happy to hear any of your advice on the functionality of the HugeMDB, and we hope that only together with you we can make a product that is convenient for everyone and always free of charge.

Key Idea

The Elegant Mathematics algorithms used to develop "Search for Molecules in the HugeMDB" program comprise: The number of 3D molecular structures, including all enantiomers, conformers and enantiomeric conformers, already exceeds 1.7 billion!

Using the search tool, you can quickly find the following: Using the search program is completely free and does not require special user registration.


Q: I have an idea for the improvement, how to proceed
A: We have an e-mail list of developers, you can report bugs or suggest improvements here. Please, have a look at "Improvements" screen.

This is a special web page to track known bugs and expected improvements in the HugeMDB

If you want to report bug, or suggest improvements, please, do not hesitate to send a e-mail to development at multi-d dot com with the subject "HugeMDB". We will report you regarding to this bug/improvement and if, confirmed, append to this list.

Fixed bugs or completed improvements will be removed from the list, and the author, who has reported first this bug will be notified.

You can also subscribe/unsubscribe to/from the updates in this list sending e-mail to the same e-mail address with a message subscribe/unsubscribe.

Several bugs in the software or firmware of the HugeMDB system that are not directly visible in the Web Interface but known for developers and beta testers are not reported for public and is distributed only by this e-mail subscriptions.

Current list of bugs and improvements:

Main Search Screen of HugeMDB

HugeMDB Supporters

Right now this project is only supported by Elegant Mathematics Ltd (Germany).

We would be very thankful for your support!


An unserem ehrenamtlichen Projekt der riesigen Molekulardatenbank HugeMDB in unserem Büro im Saarland suchen wir HelferInnen:
dann sind sie bei uns genau richtig!

Auch SchülerInnender Oberstufen berücksichtigen wir gerne, wenn sie starke Interesse an Mathematik, Programmieren und Chemie nachweisen können, beispielsweise wenn sie Preise bei Chemie-, Mathematik- und Informatik-Olympiaden erhalten haben.

Um Ihren Lebenslauf und Motivationsbrief einzureichen, schreiben Sie uns an apply at multi-d dot com.

Our Contacts

Elegant Mathematics Ltd,
Hanauer Muehle 2,
66564, Ottweiler-Fuerth,
Tel: +49 (6858) 79 79 858
Email: info at elegant - math dot de

Legal registration numbers:
UK: Cardiff 05975337
DE: HRB 16570
Active and registered since 23 Oct 2006
German tax payer's account number 030/146/00565
EU VAT account number DE 257663693
Customs number (EORI) DE 1753525

Our technical support and information office is always available for you. You can contact us at any time from any point in the world by phone and receive competitive guidance and consulting on our products and services.

Disclaimer: By providing links to other sites, Multi-D.com, Elegant-NMR.com, Elegant-NMR.de, Elegant Mathematics Ltd, and Elegant Mathematics LLC do not guarantee, approve, or endorse the information or products available at those sites, nor does a link indicate any association with or endorsement by the linked site of Elegant-NMR.com or Elegant-NMR.de.

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© Copyright Elegant Mathematics Ltd 2006-2022. All rights reserved. Page last updated: Nov 2022