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Acellera
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AceFF-1.1

chemistry
molecular simulations
machine learning potentials
neural network potentials
drug discovery
🇪🇺 Region: EU
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@@ -42,10 +42,6 @@ The AceFF1.1 dataset includes an additional 1 million conformations of molecules
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  ## Bechmarks
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- ### Torsion scan
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- AceFF1.1 has good results on Seller's et al torsion scan benchmark. Please see [3] for more details.
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- ![torsion scan](https://media.githubusercontent.com/media/Acellera/aceff_examples/refs/heads/main/figures/torsion_benchmark.png)
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  ### Wiggle150
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  The table shows the results on the [Wiggle150](https://pubs.acs.org/doi/10.1021/acs.jctc.5c00015) benchmark. We include AIMNet2 and ANI-2x for comparison.
 
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  ## Bechmarks
 
 
 
 
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  ### Wiggle150
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  The table shows the results on the [Wiggle150](https://pubs.acs.org/doi/10.1021/acs.jctc.5c00015) benchmark. We include AIMNet2 and ANI-2x for comparison.