PRIME VL
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/13769229
下载链接
链接失效反馈官方服务：
资源简介：
PRIME VL as described in the paper. Tar-archive containing 23 chunks of 10,000 unique compounds (due to multiple possible ionizaitons states, there can be multiple entries per compound). Contains properties calculated by Schrödinger's ligprep, qikprop, and pmi calculator script. Also contains reaction outcome predictions.
创建时间：
2024-09-16
