EscheWang/3dcs-embeddings

3DCS baseline embeddings This repository holds the embedding files of the baseline molecular representations evaluated in the ICLR 2026 paper 3DCS: Datasets and Benchmark for Evaluating Conformational Sensitivity in Molecular Representations. It also holds the metric outputs of the original evaluation runs and the rMD17 split files. The files are the original bytes produced in the authors' 2025 runs. Only directory names were normalized. File names, array keys and contents are… See the full description on the dataset page: https://huggingface.co/datasets/EscheWang/3dcs-embeddings.

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