RosettaCommons/NCI_Open_Compounds download history
RosettaCommons/NCI_Open_Compounds is a dataset on the Hugging Face Hub. In the last 30 days it was downloaded 11 times (3 in the last 7 days), and 3,376 times in total. It ranks #540,266 among datasets by monthly downloads.
Curated NCI Open Compounds dataset A curated set of the NCI Open Compounds with compatible mol2 and pdbqt files safe for cofolding and docking applications Quickstart Usage Install HuggingFace Datasets package Each subset can be loaded into python using the Huggingfa