Example datasets for AlphaCRV

Example datasets for AlphaCRV: A Pipeline for Identifying Accurate Binder Topologies in Mass-Modeling with AlphaFold. With these datasets you can replicate two of the three examples shown in the paper, following along with the Jupyter notebooks in the GitHub repository at https://github.com/strubelab/AlphaCRV. Description: AVRPia.fasta, AVRPik.fasta, SKP1.fasta: Sequences of the bait molecules for the three examples. AVRPia_binders.fasta, AVRPik_binders.fasta, SKP1_binders.fasta: Sequences of the binder molecules for the three examples. AVRPia_vs_rice_models.tar.lzma, AVRPik_vs_rice_models.tar.lzma: Compressed archives of the AlphaFold-Multimer models for the AVRPia and AVRPik examples. The 712 complexes for SKP1 are more than 100GB in size, so those can be provided upon request. To decompress the .tar.lzma archives use the following two commands on each: unlzma AVRPia_vs_rice_models.tar.lzma tar -xvf AVRPia_vs_rice_models.tar AVRPia_vs_rice_clusters.tar.gz, AVRPik_vs_rice_clusters.tar.gz, SKP1_vs_rice_clusters.tar.gz: Compressed archives with the results from running AlphaCRV on the three examples presented in the paper. To decompress these archives use the following command on each: tar -xvzf AVRPia_vs_rice_clusters.tar.gzAlphaCRV示例数据集：用于依托AlphaFold开展大规模建模时精准识别结合体拓扑结构的流程。借助本数据集，研究者可复现论文中展示的三个示例中的两个，并跟随GitHub仓库（https://github.com/strubelab/AlphaCRV）内的Jupyter笔记本（Jupyter Notebook）完成实操。 文件说明： 1. AVRPia.fasta、AVRPik.fasta、SKP1.fasta：三个示例所用诱饵分子（bait molecule）的序列文件。 2. AVRPia_binders.fasta、AVRPik_binders.fasta、SKP1_binders.fasta：三个示例所用结合体分子（binder molecule）的序列文件。 3. AVRPia_vs_rice_models.tar.lzma、AVRPik_vs_rice_models.tar.lzma：用于AVRPia与AVRPik示例的AlphaFold-Multimer模型压缩归档文件。SKP1示例对应的712个复合物数据集体积超过100GB，需通过申请方可获取。可通过以下两条命令对.tar.lzma格式归档文件进行解压： unlzma AVRPia_vs_rice_models.tar.lzma tar -xvf AVRPia_vs_rice_models.tar 4. AVRPia_vs_rice_clusters.tar.gz、AVRPik_vs_rice_clusters.tar.gz、SKP1_vs_rice_clusters.tar.gz：针对论文中三个示例运行AlphaCRV后得到的结果压缩归档文件。可通过以下命令对各归档文件进行解压： tar -xvzf AVRPia_vs_rice_clusters.tar.gz