THU-ATOM/GenomeScreenDB
收藏Hugging Face2025-04-25 更新2025-11-01 收录
下载链接：
https://hf-mirror.com/datasets/THU-ATOM/GenomeScreenDB
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资源简介：
GenomeScreen是迄今为止最大、最全面的全基因组虚拟筛选数据集，包含超过200万个针对约10000个人类蛋白质的20000多个结合口袋的潜在药物靶点。这个数据集是通过前所未有的10万亿个蛋白质-配体打分操作生成的，几乎覆盖了人类基因组的一半。
GenomeScreen is the first comprehensive genome-wide virtual screening dataset for human proteins, containing over 2 million potential drug hits targeting >20,000 binding pockets across ~10,000 human proteins. This dataset was generated through an unprecedented 10 trillion protein-ligand scoring operations, covering nearly half of the human genome.
提供机构：
THU-ATOM
