Pretrained atomistic neural networks
收藏DataCite Commons2023-06-27 更新2024-08-18 收录
下载链接：
https://figshare.com/articles/dataset/Pretrained_atomistic_neural_networks/23586240
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资源简介：
Pretrained models for the work "Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations". There is one model for each split strategy and core AtNN (SchNet, DimeNet++ or ComENet). See https://github.com/bbaillif/bioactive_conformation_predictor
提供机构：
figshare
创建时间：
2023-06-27
