Added table in README

README.md

@@ -2,11 +2,27 @@
 
 Open Quantum Data Commons
 
-## Setup Datasets
+### Setup Datasets
+To use any dataset, we need to first download raw files. This can be done by running the following command,
 
-Use the scripts in `setup/` to download the datasets. For more information, see the [README](setup/README.md) in the `setup/` directory.
+```bash
+python setup/download.py -d spice
+```
+
+or in a notebook like,
+
+```python
+from openqdc.raws.config_factory import DataConfigFactory
+from openqdc.raws.fetch import DataDownloader
+
+dataset_names = DataConfigFactory.available_datasets
+dataset_names = ["spice"]
+for dataset_name in dataset_names:
+    dd = DataDownloader()
+    dd.from_name(dataset_name)
+```
 
-# Install the library in dev mode
+### Install the library in dev mode
 pip install -e .
 ```
 
@@ -19,3 +35,30 @@ You can run tests locally with:
 ```bash
 pytest
 ```
+
+### Overview of Datasets
+
+<!-- Create a table with the following columns
+1. Name of Dataset (with reference of paper) [Dataset Name](paper link)
+2. Number of Molecules
+3. Number of Conformers
+4. Average Conformer to Molecule Ratio (in 2 lines)
+5. Labels
+6. QM Level of Theory
+ -->
+
+We provide support for the following publicly available QM Datasets.
+
+| Dataset | Description | # Molecules | # Conformers | Average Conformers per Molecule | Force Labels | Atom Types | QM Level of Theory |
+| --- | --- | --- | --- | --- | --- | --- | --- |
+| [GEOM](https://www.nature.com/articles/s41597-022-01288-4) | |  450,000 | 37,000,000 | 82 | No | 18 | GFN2-xTB |
+| [Molecule3D](https://arxiv.org/abs/2110.01717) | |  3,899,647 | 3,899,647 | 1 | No | 5 | B3LYP/6-31G* |
+| [NablaDFT](https://pubs.rsc.org/en/content/articlelanding/2022/CP/D2CP03966D) |  |  1,000,000 | 5,000,000 | 5 | No | 6 | ωB97X-D/def2-SVP |
+| [QMugs](https://www.nature.com/articles/s41597-022-01390-7) | |  665,000 | 2,000,000 | 3 | No | 10 | GFN2-xTB, ωB97X-D/def2-SVP |
+| [Spice](https://arxiv.org/abs/2209.10702) | |  19,238 | 1,132,808 | 59 | Yes | 15 | ωB97M-D3(BJ)/def2-TZVPPD |
+| [ANI](https://pubs.rsc.org/en/content/articlelanding/2017/SC/C6SC05720A) | |  57,462 | 348 | 20,000,000 | No | 4 | ωB97x:6-31G(d) |
+| [tmQM](https://pubs.acs.org/doi/10.1021/acs.jcim.0c01041) | |  86,665 | | | No |  | TPSSh-D3BJ/def2-SVP |
+| [DES370K](https://www.nature.com/articles/s41597-021-00833-x) | | 3,700 | 370,000 | 100 | No | 20 | CCSD(T) |
+| [DES5M](https://www.nature.com/articles/s41597-021-00833-x) | | 3,700 | 5,000,000 | 1351 | No | 20 | SNS-MP2 |
+| [OrbNet Denali](https://arxiv.org/abs/2107.00299) | | 212,905 | 2,300,000 | 11 | No | 16 | GFN1-xTB
+| [SN2RXN](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00181) | Probes chemical reactions of methyl halides with halide anions of the kind $X^- + H_3C-Y \to X-CH_3 + Y^{-1}$| 39 | 452709 | 11,600 | Yes | 6 | DSD-BLYP-D3(BJ)/def2-TZVP |