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dpa-2-gfn2-xtb-tblite

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@WangXinyan940 WangXinyan940 released this 21 Dec 09:53
· 4 commits to main since this release

Weight file of neural network potential fine-tuned based on DPA-2.3.0-v3.0.0b4. Should be used together with GFN2-xTB in TBLite.