A Conformation-Centric Generative Foundation Model for Linear Polymer Modeling and Design
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Please note that the polymer conformation dataset for pretraining is compiled entirely within the .lmdb files (i.e., train.lmdb, valid.lmdb, and test.lmdb). The isolated .sdf files explicitly visible in certain directories (e.g., data_1010) are merely structural arrangements for the test set, provided solely to facilitate the convenient calculation of various metrics during the evaluation phase.
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Zenodo创建时间：
2025-11-11
