Docstrings formatting

openqdc/datasets/interaction/des.py

@@ -264,7 +264,7 @@ class DESS66(DES370K):
     ```
 
     Reference:
-        https://www.nature.com/articles/s41597-021-00833-x
+        https://www.nature.com/articles/s41597-021-00833-x\n
         S66: https://pubs.acs.org/doi/10.1021/ct2002946
     """
 

openqdc/datasets/potential/alchemy.py

@@ -62,7 +62,7 @@ class Alchemy(BaseDataset):
 
     Reference:
         https://arxiv.org/abs/1906.09427
-        https://alchemy.tencent.com/        
+        https://alchemy.tencent.com/
     """
 
     __name__ = "alchemy"

openqdc/datasets/potential/ani.py

@@ -111,7 +111,7 @@ class ANI1X(ANI1):
     ```
 
     References:
-        https://doi.org/10.1063/1.5023802
+        https://doi.org/10.1063/1.5023802\n
         https://github.com/aiqm/ANI1x_datasets
     """
 
@@ -169,7 +169,7 @@ class ANI1CCX(ANI1):
     ```
 
     References:
-        https://doi.org/10.1038/s41467-019-10827-4
+        https://doi.org/10.1038/s41467-019-10827-4\n
         https://github.com/aiqm/ANI1x_datasets
     """
 
@@ -213,7 +213,7 @@ class ANI1CCX_V2(ANI1CCX):
     ```
 
     References:
-        https://doi.org/10.1038/s41467-019-10827-4
+        https://doi.org/10.1038/s41467-019-10827-4\n
         https://github.com/aiqm/ANI1x_datasets
     """
 

openqdc/datasets/potential/geom.py

@@ -74,8 +74,8 @@ class GEOM(BaseDataset):
     ```
 
     References:
-        https://www.nature.com/articles/s41597-022-01288-4
-        https://github.com/learningmatter-mit/geom
+        https://www.nature.com/articles/s41597-022-01288-4\n
+        https://github.com/learningmatter-mit/geom\n
         CREST Software: https://pubs.rsc.org/en/content/articlelanding/2020/cp/c9cp06869d
     """
 

openqdc/datasets/potential/iso_17.py

@@ -21,10 +21,10 @@ class ISO17(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/1706.08566
-        https://arxiv.org/abs/1609.08259
-        https://www.nature.com/articles/sdata201422
-        https://pubmed.ncbi.nlm.nih.gov/10062328/
+        https://arxiv.org/abs/1706.08566\n
+        https://arxiv.org/abs/1609.08259\n
+        https://www.nature.com/articles/sdata201422\n
+        https://pubmed.ncbi.nlm.nih.gov/10062328/\n
         https://pubmed.ncbi.nlm.nih.gov/19257665/
     """
 

openqdc/datasets/potential/molecule3d.py

@@ -79,7 +79,7 @@ class Molecule3D(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/2110.01717
+        https://arxiv.org/abs/2110.01717\n
         https://github.com/divelab/MoleculeX
     """
 

openqdc/datasets/potential/nabladft.py

@@ -65,7 +65,7 @@ class NablaDFT(BaseDataset):
     ```
 
     References:
-        https://pubs.rsc.org/en/content/articlelanding/2022/CP/D2CP03966D
+        https://pubs.rsc.org/en/content/articlelanding/2022/CP/D2CP03966D\n
         https://github.com/AIRI-Institute/nablaDFT
     """
 

openqdc/datasets/potential/orbnet_denali.py

@@ -52,7 +52,7 @@ class OrbnetDenali(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/2107.00299
+        https://arxiv.org/abs/2107.00299\n
         https://figshare.com/articles/dataset/OrbNet_Denali_Training_Data/14883867
     """
 

openqdc/datasets/potential/qm1b.py

@@ -91,7 +91,7 @@ class QM1B(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/pdf/2311.01135
+        https://arxiv.org/pdf/2311.01135\n
         https://github.com/graphcore-research/qm1b-dataset/
     """
 

openqdc/datasets/potential/qm7x.py

@@ -52,7 +52,7 @@ class QM7X(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/2006.15139
+        https://arxiv.org/abs/2006.15139\n
         https://zenodo.org/records/4288677
     """
 

openqdc/datasets/potential/qmugs.py

@@ -49,8 +49,8 @@ class QMugs(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/2107.00367
-        https://www.nature.com/articles/s41597-022-01390-7#ethics
+        https://arxiv.org/abs/2107.00367\n
+        https://www.nature.com/articles/s41597-022-01390-7#ethics\n
         https://www.research-collection.ethz.ch/handle/20.500.11850/482129
     """
 

openqdc/datasets/potential/sn2_rxn.py

@@ -53,7 +53,7 @@ class SN2RXN(BaseDataset):
     ```
 
     References:
-        https://doi.org/10.1021/acs.jctc.9b00181
+        https://doi.org/10.1021/acs.jctc.9b00181\n
         https://zenodo.org/records/2605341
     """
 

openqdc/datasets/potential/solvated_peptides.py

@@ -19,7 +19,7 @@ class SolvatedPeptides(BaseDataset):
     ```
 
     References:
-        https://doi.org/10.1021/acs.jctc.9b00181
+        https://doi.org/10.1021/acs.jctc.9b00181\n
         https://zenodo.org/records/2605372
     """
 

openqdc/datasets/potential/spice.py

@@ -54,7 +54,7 @@ class Spice(BaseDataset):
     ```
 
     References:
-        https://arxiv.org/abs/2209.10702
+        https://arxiv.org/abs/2209.10702\n
         https://github.com/openmm/spice-dataset
     """
 
@@ -112,7 +112,7 @@ class SpiceV2(Spice):
     ```
 
     References:
-        https://github.com/openmm/spice-dataset/releases/tag/2.0.0
+        https://github.com/openmm/spice-dataset/releases/tag/2.0.0\n
         https://github.com/openmm/spice-dataset
     """
 
@@ -164,7 +164,7 @@ class SpiceVL2(SpiceV2):
     ```
 
     References:
-        https://github.com/openmm/spice-dataset/releases/tag/2.0.0
+        https://github.com/openmm/spice-dataset/releases/tag/2.0.0\n
         https://github.com/openmm/spice-dataset
     """
 

openqdc/datasets/potential/tmqm.py

@@ -59,7 +59,7 @@ class TMQM(BaseDataset):
     ```
 
     References:
-        https://pubs.acs.org/doi/10.1021/acs.jcim.0c01041
+        https://pubs.acs.org/doi/10.1021/acs.jcim.0c01041\n
         https://github.com/bbskjelstad/tmqm
     """
 

openqdc/datasets/potential/transition1x.py

@@ -50,8 +50,8 @@ class Transition1X(BaseDataset):
     ```
 
     References:
-    - https://www.nature.com/articles/s41597-022-01870-w
-    - https://gitlab.com/matschreiner/Transition1x
+    - https://www.nature.com/articles/s41597-022-01870-w\n
+    - https://gitlab.com/matschreiner/Transition1x\n
     """
 
     __name__ = "transition1x"