aimat-lab / chemmatdata

An overview over chemical datasets and where to find them

ChemMatData

Global collection of molecular and materials datasets

Website at aimat-lab.github.io/ChemMatData

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About The Project

Our main goal is to create a collaborative platform where we can gather and categorize various datasets, making them conveniently accessible in one place. We are actively collecting datasets for molecules as well as crystalline structures to provide a comprehensive resource for researchers, scientists, and enthusiasts.

See the list of all molecular datasets. See the list of all materials datasets.

You can sort and explore all available datasets using our website.

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Contributing

If you have additional datasets that you believe should be included in our repository, we encourage you to contribute. Here's how you can do it:

1. Send a link to a missing dataset or your own dataset with a short description Pascal ([email protected]).
2. Directly add your dataset to the table in your browser.
3. Clone and extend this repository (detailed description here)

We appreciate your contribution and look forward to incorporating your suggested datasets into our growing collection!

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List of contributors

Send us pull requests or emails with new datasets if you want to see your name here!

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About Us

An open-source project hosted by the AiMat Group at the Karlsruhe Institute of Technology (KIT). The initial version of this project was developed by Jana Zeller and Pascal Friederich.

chemmatdata's Issues

related list

Hi! Nice effort. I have been curating a related list https://github.com/kjappelbaum/awesome-chemistry-datasets.

And there are already some others specific to materials.

You're collecting a bit more details, which is nice. Do you think we can/should join forces?

Cheers,
Kevin