Giters
seekrcentral

seekrcentral

Geek Repo

Github PK Tool:Github PK Tool

seekrcentral's repositories

seekr2

Simulation-Enabled Estimation of Kinetic Rates - Version 2

Language:PythonLicense:MITStargazers:27Issues:5Issues:30

openmm_ramd

Allows one to run RAMD simulations in OpenMM

Language:PythonLicense:MITStargazers:5Issues:1Issues:1

qmrebind

Quantum Mechanical - Molecular Mechanical Re-parameterization of the Receptor-Ligand Binding site implemented in Simulation Enabled Estimation of Kinetic Rates (SEEKR)

Language:PythonLicense:BSD-3-ClauseStargazers:4Issues:1Issues:0

seekr2_openmm_plugin

The SEEKR2 OpenMM Plugin

Language:C++License:NOASSERTIONStargazers:2Issues:3Issues:0

seekr2_openmm_plugin-feedstock

A conda-smithy repository for seekr2_openmm_plugin.

Language:ShellLicense:BSD-3-ClauseStargazers:1Issues:0Issues:0

seekrtools

Language:PythonLicense:MITStargazers:1Issues:0Issues:0

seekr2_systems

A set of example systems that can be used for SEEKR2 calculations.

Language:Rich Text FormatLicense:MITStargazers:0Issues:1Issues:0