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THU-ATOM/DrugCLIP_data

🧬 DrugCLIP data repository This repository hosts benchmark datasets, pre-computed molecular embeddings, pretrained model weights, and supporting files used in the DrugCLIP project. It also includes data and models used for wet lab validation experiments. 📁 Repository Contents 1. DUD-E.zip Full dataset for the DUD-E benchmark. Includes ligand and target files for all targets. 2. LIT-PCBA.zip Full dataset for the LIT-PCBA… See the full description on the dataset page: https://huggingface.co/datasets/THU-ATOM/DrugCLIP_data.

Author / organizationTHU-ATOM
License (as declared)cc-by-4.0
Downloads1.2K (as reported by Hugging Face)
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Created29 August 2024
Last updated at source16 May 2026
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  • 16 Oct 2026 Description: 🧬 DrugCLIP data repository This repository hosts benchmark datasets, pre-computed molecular embeddings, pretrained model weights, and supporting files used in the DrugCLIP project. It also includes data and models used for wet lab validati → 🧬 DrugCLIP data repository This repository hosts benchmark datasets, pre-computed molecular embeddings, pretrained model weights, and supporting files used in the DrugCLIP project. It also includes data and models used for wet lab validati

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