deepmodeling / deepmodeling/Uni-Mol
无法预测出负值
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Description
1、请问Unimol tools是完全基于Unimol吗？我在用Unimol tools复现您Unimol论文中回归任务，具体我在esol，freesolv，lipo数据集的RMSE结果是0.776，2.052，0.607,您的论文esol，freesolv，lipo分别是0.788 1.480 0.603。对于freesolv数据集无论怎么调参数都很难达到论文中的指标。
2、在利用Unimol tools进行我个人数据集的回归任务，但我发现无法预测出负值。请问怎么办
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