Pinned Repositories
AD-GPU-set-of-42-Runtimes
Runtime tables and dlg files for Diogo's 42 ligand test case on a Titan V
AutoDock-GPU
AutoDock for GPUs using OpenCL
AutoDock-Vina
AutoDock Vina
qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
AutoDock-GPU
AutoDock for GPUs and other accelerators
AutoDock-Vina
AutoDock Vina
AutoGrid
CryoXKit
Tool to read crystallographic and cryo-EM files and interpolate density values onto a cartesian grid map
Meeko
Interface for AutoDock, molecule parameterization
tutorials
atillack's Repositories
atillack/AutoDock-GPU
AutoDock for GPUs using OpenCL
atillack/AD-GPU-set-of-42-Runtimes
Runtime tables and dlg files for Diogo's 42 ligand test case on a Titan V
atillack/AutoDock-Vina
AutoDock Vina
atillack/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.