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license: apache-2.0 |
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language: |
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- en |
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tags: |
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- Protein Langauge Model |
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- AI for Drug Discovery |
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- AI for Science |
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# Dataset Summary |
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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 (). |
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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). |
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The original files can also be downloaded from the github of CDConv (https://github.com/hehefan/Continuous-Discrete-Convolution). |
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We upload the dataset here for the ease of downloading. |
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The details are shown in the following table. |
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| Dataset | #Train | #Valid | #Test 95% | #Test 50% | #Test 30% | |
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|------------------|--------|--------|----------------|---------------------|------------| |
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| EnzymeCommission | 15,550 | 1,729 | 1,919 | 1,117 | 720 | |
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| GeneOntology | 29,898 | 3,322 | 3,416 | 2,199 | 1,717 | |
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| Fold | 12,312 | 736 | 1,272 (Family) | 1,254 (Superfamily) | 718 (Fold) | |
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# Evaluation Pipeline |
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Please refer to ESM-S (https://github.com/DeepGraphLearning/esm-s) for the training and evaluation code. |
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