CASF-2016 dataset prepared for DeepDock evaluation
收藏DataCite Commons2021-04-29 更新2024-07-28 收录
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https://figshare.com/articles/dataset/CASF-2016_dataset_prepared_for_DeepDock_evaluation/14510913
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资源简介：
CASF-2016 data used to evaluate DeepDock. The file contains information of 285 protein ligand complexes extracted from CASF-2016. They have been preprocessed using MaSSIF and are ready to be used as input using Pytorch geometric. The target is represented by a mesh, each node contains 4 physchem properties. The ligand is represented as a 2D graph where node features represent atom type and edge features represent bond types.
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figshare创建时间：
2021-04-29
