gpaw-tools
nablaDFT
gpaw-tools | nablaDFT | |
---|---|---|
1 | 1 | |
18 | 133 | |
- | 3.8% | |
7.5 | 8.6 | |
about 1 month ago | 8 days ago | |
Python | Python | |
MIT License | MIT License |
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gpaw-tools
-
gpaw-tools: A script to work with GPAW like other compiled DFT codes.
Please refer to "https://github.com/lrgresearch/gpaw-tools" for more.
nablaDFT
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The world's largest quantum chemistry dataset to empower new materials design and drug discovery
https://github.com/AIRI-Institute/nablaDFT here's the dataset itself btw!
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