MassiveFold data for target H1236 - T292

MassiveFold data generated for CASP16, in collaboration with CAPRI . 8040 predictions were generated for the target = 1005 x 8 sets of parameters. - a description of the setup can be found in `MassiveFold_CASP16_Abstract.pdf` - `README.txt` describes the contents of the main `MassiveFold.tar.gz` file - the main `MassiveFold.tar.gz file contains all the predictions, divided into 8 folders named after the conditions. It contains predictions as well as pickle files, sequence alignments, rankings and plots. The README.txt file describes the contents of this tar.gz. - the `only_pdbs_MassiveFold.tar.gz` is the result of the `gather_runs.py` script, without the pickle files. It contains a list of all the pdb files and ranking files with scores. - `gather_runs.py` allows to gather the runs, to use preferentially to the one included in the main `MassiveFold.tar.gz` at the time of the prediction phase, because it has been updated - `combined_scores.csv` file contains the CASP assessment for the target (from https://predictioncenter.org/) - `CAPRI_assessment.csv` file contains the CAPRI assessment for the target (from https://www.capri-docking.org/assessment/) - `CAPRI_scoring.pdb.gz` is a multi-pdbs containing all the MassiveFold predictions for the target. It was used for the CAPRI scoring phase.

本数据集为与CAPRI合作针对CASP16生成的MassiveFold数据。针对参数组合为1005×8的靶标，共生成8040条预测结果。相关实验设置说明可参阅`MassiveFold_CASP16_Abstract.pdf`；`README.txt`对主压缩包`MassiveFold.tar.gz`的内容进行了详细说明。主压缩包`MassiveFold.tar.gz`包含全部预测结果，按实验条件分为8个以条件名称命名的文件夹，其中涵盖预测结果文件、pickle文件、序列比对文件、排名文件及绘图结果。`only_pdbs_MassiveFold.tar.gz`为`gather_runs.py`脚本的输出产物，剔除了pickle文件，仅包含所有PDB文件及带评分的排名文件。`gather_runs.py`脚本可用于整合预测运行结果，相较于主压缩包`MassiveFold.tar.gz`中附带的旧版本脚本，该脚本已完成更新，推荐优先使用。`combined_scores.csv`文件包含该靶标的CASP评估结果（数据来源：https://predictioncenter.org/）；`CAPRI_assessment.csv`文件包含该靶标的CAPRI评估结果（数据来源：https://www.capri-docking.org/assessment/）；`CAPRI_scoring.pdb.gz`为多PDB压缩包，包含该靶标的全部MassiveFold预测结果，曾用于CAPRI评分环节。