Update README.md

README.md

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   - split: test
     path: data/test-*
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+
+# Residue identity prediction
+
+## Overview
+
+Understanding the structural role of individual amino acids is important for engineering new proteins. 
+We can understand this role by predicting the substitutabilities of different amino acids at a given protein site based on the surrounding structural environment. 
+We generate a novel dataset consisting of atomic environments extracted from nonredundant structures in the PDB. 
+We formulate this as a classification task where we predict the identity of the amino acid in the center of the environment based on all other atoms.
+
+## Datasets
+- splits:
+   - split-by-cath-topology: split by CATH 4.2 topology class at the domain level (NOTE: only indices available for download currently due to size of dataset)
+
+## Citation Information
+
+@article{townshend2020atom3d,
+  title={Atom3d: Tasks on molecules in three dimensions},
+  author={Townshend, Raphael JL and V{\"o}gele, Martin and Suriana, Patricia and Derry, Alexander and Powers, Alexander and Laloudakis, Yianni and Balachandar, Sidhika and Jing, Bowen and Anderson, Brandon and Eismann, Stephan and others},
+  journal={arXiv preprint arXiv:2012.04035},
+  year={2020}
+}