CASF-2016 dataset prepared for DeepDock evaluation
收藏NIAID Data Ecosystem2026-03-12 收录
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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.
创建时间：
2021-04-29
