debanjansen48

Pinned Repositories

AutoDock-GPU
AutoDock for GPUs using OpenCL
Language:C00
gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Language:C++00
rxdock
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout 2dd24cc after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Language:C++00
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Language:Python972 18 205237
gnina
A deep learning framework for molecular docking
Language:C++571 29 198141
pmx
pmx - a pure JavaScript Parser for PMX Format(MMD)
Language:JavaScript41 3 15
SSTMap
Solvation Structure and Thermodynamic Mapping
Language:Python38 8 4923
openmm-setup
An application for configuring and running simulations with OpenMM
Language:HTML50 3 2012
schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Language:Python16 3 17
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.
Language:Python196 9 45162

debanjansen48's Repositories

debanjansen48/AutoDock-GPU
AutoDock for GPUs using OpenCL
Language:C00
debanjansen48/gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Language:C++00
debanjansen48/rxdock
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout 2dd24cc after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Language:C++00