adds the dataset usage section to README.md

README.md

@@ -69,6 +69,9 @@ configs:
     - [Data Instances](#data-instances)
     - [Data Fields](#data-fields)
     - [Data Splits and Configurations](#data-splits-and-configurations)
+  - [How to Use the Dataset](#how-to-use-the-dataset)
+    - [Prerequisites](#prerequisites)
+    - [Accessing the Data](#accessing-the-data)
   - [Dataset Creation](#dataset-creation)
     - [Curation Rationale](#curation-rationale)
     - [Source Data](#source-data)
@@ -219,6 +222,63 @@ has seven configurations/subsets:
 - `pm6opt_chnopsfcl500nosalt`
 - `pm6opt_chnopsfclnakmgca500`
 
+## How to Use the Dataset
+
+### Prerequisites
+
+We recommend isolating your work in a virtualenv or conda environment.
+You can create a new conda environment, `pubchemqc`,
+
+```bash
+  conda create -n pubchemqc python=3.12
+```
+
+and activate it using the following command
+
+```bash
+  conda activate pubchemqc
+```
+
+Once the conda environment is activated, you can
+install the dependencies in it as shown below
+
+```bash
+  pip install huggingface_hub ijson
+```
+
+### Accessing the Data
+
+Once the required packages are installed, you can run the following code
+to access the data
+
+```python
+  # import the modules
+  from datasets import load_dataset
+
+  # load the dataset with streaming
+  hub_ds = load_dataset(path="molssiai-hub/pubchemqc-pm6",
+                        name="pm6opt",
+                        split="train",
+                        streaming=True,
+                        cache_dir="./tmp",
+                        trust_remote_code=True)
+
+  # fetch a batch of 32 samples from the dataset
+  ds = list(hub_ds.take(32))
+```
+
+The argument `name` by default is set to `pm6opt` which refers to
+the entire dataset. Other configurations (subsets), listed in
+Sec. [Data Splits and Configurations](#data-splits-and-configurations),
+can also be selected.
+
+The `split` must be set to `train` as it is the only split in our dataset.
+We recommend using `streaming=True` to avoid downloading the entire dataset
+on disk. The `cache_dir` allows us to store the Hugging Face datasets' and
+models' artifacts in a non-default directory (by default, it is set to
+`~/.cache/huggingface`). As we are using a custom
+[load script](https://huggingface.co/datasets/molssiai-hub/pubchemqc-pm6/blob/main/pubchemqc-pm6.py), the `trust_remote_code` argument should also be set to `True`.
+
 ## Dataset Creation
 
 ### Curation Rationale