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 LeBonhommePharma/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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NRGsuite
NRGsuite PublicForked from LeBonhommePharma/NRGsuite
NRGsuite is a PyMOL plugin (GUI) for FlexAID
Repositories
- FlexAIDdS Public Forked from LeBonhommePharma/FlexAIDdS
Modernized FlexAID fully flexible, in C++20 with python bindings. Updated NRGsuite, the PyMOL plugin GUI.
- 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.
- NRGRank Public
- Surfaces Public
- NRGSuite-Qt Public
- vcon-py Public
- flexaid-py Public
- processligand-py Public
- Process_Ligand Public
Ligand and target files processing software to prepare the files needed for FlexAID.
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