update readme

README.md

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-viewer: false
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-license: cc-by-nd-4.0
-tags:
-- chemistry
-- biology
-- molecular dynamics
-- neural network potential
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+viewer: false
+---
+license: CC BY-ND 4.0</br>
+
+Tags:
+
+- Chemistry
+- Biology
+- Molecular Dynamics
+- Neural Network Potential
+  
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 # mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics 
 
-This dataset comprises all-atom systems for 5,398 CATH domains, modeled with a state-of-the-art classical force field, and simulated in five replicates each at five temperatures from 320 K to 413 K. 
+This dataset comprises all-atom systems for 5,398 CATH domains, modeled with a state-of-the-art classical force field, and simulated in five replicates each at five temperatures from 320 K to 450 K. 
 
 ---
 ## Availability
-- torchmd-net dataloader
-- playmolecule
-- vmd script to load and analysis
+- [torchmd-net dataloader](https://github.com/torchmd/torchmd-net/blob/main/torchmdnet/datasets/mdcath.py)
+- [playmolecule](https://open.playmolecule.org/mdcath)
+- [vmd script to load and analysis]
 
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 ## Citing The Dataset
 Please cite this manuscript for papers that use the mdCATH dataset:
 
-Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis. "mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics" (to appear)
+Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis. "mdCATH: A Large-Scale MD Dataset for Data-Driven Computational Biophysics" ([arXiv:2407.14794](https://arxiv.org/abs/2407.14794v1))
 
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 ## Dataset Size
@@ -40,4 +43,4 @@ Antonio Mirarchi, Toni Giorgino, Gianni De Fabritiis. "mdCATH: A Large-Scale MD
 | Avg. domain length    | 137 AAs     |
 | Total file size       | 3.3 TB      |
 
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