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README.md
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@@ -41,6 +41,12 @@ PubChemQCR is a dataset that contains the DFT relaxation trajectory of ~3.5 mill
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Link: https://huggingface.co/datasets/divelab/PubChemQCR
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---
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All other scientific and engineering projects from our lab can be found at the following link:
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Link: https://huggingface.co/datasets/divelab/PubChemQCR
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**OrbEvo**
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TDDFT dataset for time-dependent electronic wavefunction simulation from [Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory](https://arxiv.org/abs/2603.03511).
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Link: https://huggingface.co/datasets/divelab/OrbEvo
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---
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All other scientific and engineering projects from our lab can be found at the following link:
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