PRIME VL
收藏Zenodo2024-09-16 更新2026-04-07 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.13769230
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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.
提供机构：
ETH Zurich创建时间：
2024-09-16
