SARS-CoV2 Docking Dataset for MLMol Language Model (50M)

Name: SARS-CoV2 Docking Dataset for MLMol Language Model (50M)
Creator: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Published: 2022-05-21 04:54:51
License: 暂无描述

DataCite Commons2022-05-21 更新2025-04-09 收录

下载链接：

https://www.osti.gov/servlets/purl/1868526/

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资源简介：

This is a processed molecular dataset from this https://doi.ccs.ornl.gov/ui/doi/348 adding up to 50M molecules for the training and 486K molecules for the validation. Instructions on how to use/run/train this dataset can be found here: https://code.ornl.gov/candle/mlmol

提供机构：

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

创建时间：

2022-05-21