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Najmanovich Research Group
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- FlexAIDdS Public Forked from LeBonhommePharma/FlexAIDdS
Modernized FlexAID fully flexible, in C++20 with python bindings. Updated NRGsuite, the PyMOL plugin GUI.
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NRGlab/FlexAIDdS's past year of commit activity - FlexAID-dS Public archive
FlexAID∆S — Flexible Artificial Intelligence Docking now Entropy-aware with full thermodynamics analyses, a modern C++20 code accelerated with CUDA/Metal/AVX2/AVX-512/OpenMP and dependency-free beside Eigen3 and Python (for Python bindings and NRGsuite PyMOL plugin.
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NRGlab/FlexAID-dS's past year of commit activity - NRGRank Public
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NRGlab/NRGRank's past year of commit activity - Surfaces Public
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NRGlab/Surfaces's past year of commit activity - NRGSuite-Qt Public
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NRGlab/NRGSuite-Qt's past year of commit activity - vcon-py Public
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NRGlab/vcon-py's past year of commit activity - flexaid-py Public
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NRGlab/FlexAID's past year of commit activity - processligand-py Public
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NRGlab/processligand-py's past year of commit activity - Process_Ligand Public
Ligand and target files processing software to prepare the files needed for FlexAID.
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NRGlab/Process_Ligand's past year of commit activity
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