7 projects
AMDockVS
AMDock — chemistry-focused virtual screening and docking desktop app built on the MolSuite orchestrator.
ms-components
PySide6 UI components for MolSuite: smart table, project browser, job monitor, PyMOL dock, steppers.
ms-contactmap
MolSuite Interaction Profiler
ms-flow
In-process, desktop-first, domain-agnostic job/task/executor orchestrator for massive data flows.
ms-env
Environments for MolSuite apps: find or install external tools, on this machine or over ssh.
gmx-MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files
AMDock
AMDock: Assisted Molecular Docking with Autodock4 and Autodock Vina
