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tools tagged “virtual-screening”

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domain

bioinformatics cheminformatics drug-discovery materials molecular-dynamics protein-design quantum-chemistry

molecule type

antibody dna peptide protein rna small-molecule

resource type

benchmark dataset framework model tool tutorial

task

docking force-field generation optimization property-prediction representation retrosynthesis simulation structure-prediction virtual-screening visualization

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a community-curated index of molecular software

curated: community · contributions: welcome