adds details on SEAMM and source files

README.md

@@ -125,6 +125,7 @@ configs:
     - [Accessing the Data](#accessing-the-data)
   - [Dataset Creation](#dataset-creation)
     - [Curation Rationale](#curation-rationale)
+    - [Source Data](#source-data)
       - [Initial Data Collection and Normalization](#initial-data-collection-and-normalization)
     - [Personal and Sensitive Information](#personal-and-sensitive-information)
   - [Considerations for Using the Data](#considerations-for-using-the-data)
@@ -306,7 +307,16 @@ the first 32 samples from the shuffled dataset.
 
 The present version of PM7 dataset has been extracted from the
 [pm7.sdf.gz](https://huggingface.co/datasets/molssiai-hub/pm7/blob/main/pm7.sdf.gz)
-file, transformed into a dictionary and stored in the `.json` format.
+file, transformed into a dictionary and stored in the `.json` format. The SDF
+file was generated using [Simulation Environment for Atomistic and Molecular
+Modeling (SEAMM)](https://github.com/molssi-seamm) software. The SEAMM flowchart
+for processing the PM7 dataset from the MOPAC input files can be found on
+Zenodo.
+
+### Source Data
+
+The PM7 dataset (and the corresponding SDF file) was generated using the MOPAC
+input files hosted in [MOPAC GitHub repository](https://github.com/openmopac/mopac/tree/main/data/normal). 
 
 #### Initial Data Collection and Normalization