Update README.md

README.md

@@ -21,8 +21,15 @@ by each model. RASSP's strict input filters reduced the dataset to approximately
 unique compounds and 9.6 million unique spectra.
 
 Lastly, we split each synthetic dataset into training, validation, and test sets using a 0.9:0.05:0.05 ratio. The splitting process was random, but corresponding splits
-(training, validation, and test sets) for the NEIMS and RASSP-generated spectra contained the same compounds. Each training set contained 4.3 million spectra, while the
-validation and test sets each consisted of \numprint{240000} spectra.
+(training, validation, and test sets) for the NEIMS and RASSP-generated spectra contained the same compounds.
+
+## Size
+
+```text
+train.jsonl    4364715
+valid.jsonl    242489
+test.jsonl     242479
+```
 
 
 ## Dataset choice
@@ -40,6 +47,9 @@ Each line of every file is a `json` comprising three items:
 "smiles":"CCC(C)C1CCCCN1C(=O)CNc1cccc(C#N)c1"}
 ```
 
+Our [preprint] (TODO) provides more information about the task background, the final finetuned model, and the experiments.
+
+
 
 [NEIMS]: https://github.com/brain-research/deep-molecular-massspec
 [RASSP]: https://github.com/thejonaslab/rassp-public