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README.md
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@@ -184,20 +184,19 @@ The following data is included in our training set:
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The reference energies were obtained from literature.
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**NCI-Atlas**
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: Five datasets from the [NCI-Atlas collection of non-covalent
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interactions](http://www.nciatlas.org/):
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**GDB9**
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: The graph data base with up to non-hydrogen atoms computed at
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The reference energies were obtained from literature.
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**NCI-Atlas**
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: Five datasets from the [NCI-Atlas collection of non-covalent
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interactions](http://www.nciatlas.org/):
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- [D442x10](http://www.nciatlas.org/D442x10.html), dissociation
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curves for dispersion bound van-der-Waals complexes
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- [SH250x10](http://www.nciatlas.org/SH250.html), dissociation
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curves for sigma-hole bound van-der-Waals complexes
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- [R739x5](http://www.nciatlas.org/R739.html), compressed
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van-der-Waals complexes
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- [HB300SPXx10](http://www.nciatlas.org/HB300SPX.html), dissociation
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curves for hydrogen bound van-der-Waals complexes
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- [IHB100x10](http://www.nciatlas.org/IHB100.html), dissociation
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curves for ionic hydrogen bound van-der-Waals complexes
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**GDB9**
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: The graph data base with up to non-hydrogen atoms computed at
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