seekrcentral

Pinned Repositories

openmm_ramd
Allows one to run RAMD simulations in OpenMM
Language:Python5 1 12
qmrebind
Quantum Mechanical - Molecular Mechanical Re-parameterization of the Receptor-Ligand Binding site implemented in Simulation Enabled Estimation of Kinetic Rates (SEEKR)
Language:Python4 1 00
seekr2
Simulation-Enabled Estimation of Kinetic Rates - Version 2
Language:Python27 5 305
seekr2_openmm_plugin
The SEEKR2 OpenMM Plugin
Language:C++2 3 01
seekr2_openmm_plugin-feedstock
A conda-smithy repository for seekr2_openmm_plugin.
Language:Shell1 0 00
seekr2_systems
A set of example systems that can be used for SEEKR2 calculations.
Language:Rich Text Format0 1 00
seekrtools
Language:Python1 1 11

seekrcentral's Repositories

seekrcentral/seekr2
Simulation-Enabled Estimation of Kinetic Rates - Version 2
Language:Python27 5 305
seekrcentral/openmm_ramd
Allows one to run RAMD simulations in OpenMM
Language:Python5 1 12
seekrcentral/qmrebind
Quantum Mechanical - Molecular Mechanical Re-parameterization of the Receptor-Ligand Binding site implemented in Simulation Enabled Estimation of Kinetic Rates (SEEKR)
Language:Python4 1 00
seekrcentral/seekr2_openmm_plugin
The SEEKR2 OpenMM Plugin
Language:C++2 3 01
seekrcentral/seekr2_openmm_plugin-feedstock
A conda-smithy repository for seekr2_openmm_plugin.
Language:Shell1 0 00
seekrcentral/seekrtools
Language:Python1 1 11
seekrcentral/seekr2_systems
A set of example systems that can be used for SEEKR2 calculations.
Language:Rich Text Format0 1 00