ligand-screening topic
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ligand-screening repositories
drug-computing
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Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
screenlamp
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screenlamp is a Python toolkit for hypothesis-driven virtual screening
rxdock
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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 Gi...
FlexAID
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Flexible Artificial Intelligence Docking