openadmet/ASAP_Polaris_OpenADMET_challenge

Raw datasets for the ASAP-Polaris-OpenADMET blind challenge. This repo contains the datasets used in the ASAP-Polaris-OpenADMET challenge, comprising Potency, ADMET and crystallography data from ASAP Discovery's SARS-CoV-2 / MERS-CoV main protease inhibitor program. More detail on the competition and its design can be found at the relevant preprint. Data is assigned to a train or test split based on criteria laid out in the above preprint. For the tabular data (Potency and… See the full description on the dataset page: https://huggingface.co/datasets/openadmet/ASAP_Polaris_OpenADMET_challenge.

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