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AIforGreatGood / charge3net

Higher-order equivariant neural networks for charge density prediction in materials
https://www.nature.com/articles/s41524-024-01343-1
MIT License
38 stars 12 forks source link

MP Download Fix #8

Closed teddykoker closed 3 weeks ago

teddykoker commented 1 month ago

Addresses #7 #2. Updates materials project download code for their new API. Allows downloading latest calculations where old task ids are not available to download.