<!-- Please make sure that the project was not already added or suggested to this best-of list. You can ensure this by searching the projects.yaml, the README.md, and the issue list. --> **Project details:** <!-- Please fill out as much of the following information as possible. --> - Project Name: - Github URL: - Category: <!-- Choose one of the existing categories from the README.md or projects.yaml file --> - Labels: <!-- Choose some of the existing labels from the README.md or projects.yaml file, comma-separated list --> - License: - Package Managers: <!-- Add the IDs for every package manager that the project is available on (e.g. npm, pypi, conda, dockerhub, maven, apt, ...). For example: pypi:tensorflow conda:conda-forge/tensorflow dockerhub:tensorflow/tensorflow --> **Additional context:** <!-- Optional. Add any other context or additional information about the project. --> - Publications. - (Skala Paper) Microsoft Research Publications. Accurate and scalable exchange-correlation with deep learning. [URL](https://www.microsoft.com/en-us/research/publication/accurate-and-scalable-exchange-correlation-with-deep-learning/) - (Dataset Paper) Microsoft Research Publications. Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space. [URL](https://www.microsoft.com/en-us/research/publication/accurate-chemistry-collection-coupled-cluster-atomization-energies-for-broad-chemical-space/) - (Dataset) Zenodo. MSR-ACC/TAE25: 77k coupled cluster atomization energies for broad chemical space. [DOI](https://doi.org/10.5281/zenodo.15387279) - Promotion - Microsoft Research Blog. Breaking bonds, breaking ground: Advancing the accuracy of computational chemistry with deep learning. June 18, 2025. [URL](https://www.microsoft.com/en-us/research/blog/breaking-bonds-breaking-ground-advancing-the-accuracy-of-computational-chemistry-with-deep-learning/) - Twitter [1](https://x.com/MSFTResearch/status/1935278098959761474), [2](https://x.com/MSFTResearch/status/1935819883087810611) - YouTube [1](https://youtu.be/wtB50-si1hI?si=pOEIpkcreTwTv0qq), [2](https://youtu.be/Zzt3h10KLp4?si=dituuUB5Wz5hLXeB), [3](https://youtu.be/ckXVse-XZMQ?si=1lLY2wF-vVq2dTk7) - Access - Microsoft DFT Research Early Access Program Application Form. [URL](https://forms.office.com/Pages/ResponsePage.aspx?id=v4j5cvGGr0GRqy180BHbRwgaiBR8OddNkBjabeV-uTpUMlhKM0pYVzEyNU44WlNFR0E5N04zWjNPVy4u) - Twitter announcement [URL](https://x.com/MSFTResearch/status/1939836428852121679)
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