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Top 2 ligand-screening open source projects

RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

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C++perl matlab Meson python Rich Text Format protein-ligand-docking drug-discovery docking ligand-screening protein-ligand-interactions virtual-screening cxx11 protein-ligand-binding-conformation protein-ligand-interfaces molecular-docking protein-drug-interactions

screenlamp

screenlamp is a Python toolkit for hypothesis-driven virtual screening

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python bioinformatics computational-biology computational-chemistry drug-discovery docking pharmacometrics ligand-screening virtual-screening

1-2 of 2 ligand-screening projects