Najmanovich Research Group
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ENCoM
ENCoM PublicForked from vince1589/encom
Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
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Get_Cleft
Get_Cleft PublicForked from lmorency/Get_Cleft
The Get_Cleft program detects cavities in PDB-formated macromolecular structure models. It is based on the Surfnet algorithm of Laskowski et al.
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Repositories
- FlexAIDdS Public Forked from lmorency/FlexAIDdS
Modernized FlexAID fully flexible, in C++20 with python bindings. Updated NRGsuite, the PyMOL plugin GUI.
NRGlab/FlexAIDdS’s past year of commit activity - FlexAID-dS Public Forked from lmorency/FlexAID-dS
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.
NRGlab/FlexAID-dS’s past year of commit activity - NRGRank Public
NRGlab/NRGRank’s past year of commit activity - Surfaces Public
NRGlab/Surfaces’s past year of commit activity - NRGSuite-Qt Public
NRGlab/NRGSuite-Qt’s past year of commit activity - vcon-py Public
NRGlab/vcon-py’s past year of commit activity - flexaid-py Public
NRGlab/flexaid-py’s past year of commit activity - processligand-py Public
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.
NRGlab/Process_Ligand’s past year of commit activity
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