Updated README

README.md

@@ -33,16 +33,16 @@ pytest
 
 We provide support for the following publicly available QM Datasets.
 
-| Dataset | Description | # Molecules | # Conformers | Average Conformers per Molecule | Force Labels | Atom Types | QM Level of Theory |
-| --- | --- | --- | --- | --- | --- | --- | --- |
-| [GEOM](https://www.nature.com/articles/s41597-022-01288-4) | |  450,000 | 37,000,000 | 82 | No | 18 | GFN2-xTB |
-| [Molecule3D](https://arxiv.org/abs/2110.01717) | |  3,899,647 | 3,899,647 | 1 | No | 5 | B3LYP/6-31G* |
-| [NablaDFT](https://pubs.rsc.org/en/content/articlelanding/2022/CP/D2CP03966D) |  |  1,000,000 | 5,000,000 | 5 | No | 6 | ωB97X-D/def2-SVP |
-| [QMugs](https://www.nature.com/articles/s41597-022-01390-7) | |  665,000 | 2,000,000 | 3 | No | 10 | GFN2-xTB, ωB97X-D/def2-SVP |
-| [Spice](https://arxiv.org/abs/2209.10702) | |  19,238 | 1,132,808 | 59 | Yes | 15 | ωB97M-D3(BJ)/def2-TZVPPD |
-| [ANI](https://pubs.rsc.org/en/content/articlelanding/2017/SC/C6SC05720A) | |  57,462 | 348 | 20,000,000 | No | 4 | ωB97x:6-31G(d) |
-| [tmQM](https://pubs.acs.org/doi/10.1021/acs.jcim.0c01041) | |  86,665 | | | No |  | TPSSh-D3BJ/def2-SVP |
-| [DES370K](https://www.nature.com/articles/s41597-021-00833-x) | | 3,700 | 370,000 | 100 | No | 20 | CCSD(T) |
-| [DES5M](https://www.nature.com/articles/s41597-021-00833-x) | | 3,700 | 5,000,000 | 1351 | No | 20 | SNS-MP2 |
-| [OrbNet Denali](https://arxiv.org/abs/2107.00299) | | 212,905 | 2,300,000 | 11 | No | 16 | GFN1-xTB
-| [SN2RXN](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00181) | Probes chemical reactions of methyl halides with halide anions of the kind $X^- + H_3C-Y \to X-CH_3 + Y^{-1}$| 39 | 452709 | 11,600 | Yes | 6 | DSD-BLYP-D3(BJ)/def2-TZVP |
+| Dataset | # Molecules | # Conformers | Average Conformers per Molecule | Force Labels | Atom Types | QM Level of Theory |
+| --- | --- | --- | --- | --- | --- | --- |
+| [GEOM](https://www.nature.com/articles/s41597-022-01288-4) |  450,000 | 37,000,000 | 82 | No | 18 | GFN2-xTB |
+| [Molecule3D](https://arxiv.org/abs/2110.01717) |  3,899,647 | 3,899,647 | 1 | No | 5 | B3LYP/6-31G* |
+| [NablaDFT](https://pubs.rsc.org/en/content/articlelanding/2022/CP/D2CP03966D) |  1,000,000 | 5,000,000 | 5 | No | 6 | ωB97X-D/def2-SVP |
+| [QMugs](https://www.nature.com/articles/s41597-022-01390-7) |  665,000 | 2,000,000 | 3 | No | 10 | GFN2-xTB, ωB97X-D/def2-SVP |
+| [Spice](https://arxiv.org/abs/2209.10702) |  19,238 | 1,132,808 | 59 | Yes | 15 | ωB97M-D3(BJ)/def2-TZVPPD |
+| [ANI](https://pubs.rsc.org/en/content/articlelanding/2017/SC/C6SC05720A) |  57,462 | 20,000,000 | 348 | No | 4 | ωB97x:6-31G(d) |
+| [tmQM](https://pubs.acs.org/doi/10.1021/acs.jcim.0c01041) |  86,665 | | No |  | TPSSh-D3BJ/def2-SVP |
+| [DES370K](https://www.nature.com/articles/s41597-021-00833-x) | 3,700 | 370,000 | 100 | No | 20 | CCSD(T) |
+| [DES5M](https://www.nature.com/articles/s41597-021-00833-x) | 3,700 | 5,000,000 | 1351 | No | 20 | SNS-MP2 |
+| [OrbNet Denali](https://arxiv.org/abs/2107.00299) | 212,905 | 2,300,000 | 11 | No | 16 | GFN1-xTB
+| [SN2RXN](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00181) | 39 | 452709 | 11,600 | Yes | 6 | DSD-BLYP-D3(BJ)/def2-TZVP |