Oxer11's picture
Update README.md
ad8022d verified
metadata
license: apache-2.0
language:
  - en
tags:
  - Protein Langauge Model
  - AI for Drug Discovery
  - AI for Science

Dataset Summary

This is a protein structure and protein prediction dataset for the papers GearNet (https://arxiv.org/abs/2203.06125), ESM-GearNet (https://arxiv.org/abs/2303.06275), ESM-S (https://arxiv.org/abs/2402.05856) and ProtIR (). The dataset is first processed by DeepFRI (https://www.nature.com/articles/s41467-021-23303-9) and then collected by CDConv (https://openreview.net/forum?id=P5Z-Zl9XJ7). The original files can also be downloaded from the github of CDConv (https://github.com/hehefan/Continuous-Discrete-Convolution). We upload the dataset here for the ease of downloading.

The details are shown in the following table.

Dataset #Train #Valid #Test 95% #Test 50% #Test 30%
EnzymeCommission 15,550 1,729 1,919 1,117 720
GeneOntology 29,898 3,322 3,416 2,199 1,717
Fold 12,312 736 1,272 (Family) 1,254 (Superfamily) 718 (Fold)

Evaluation Pipeline

Please refer to ESM-S (https://github.com/DeepGraphLearning/esm-s) for the training and evaluation code.