Topic: "desmond"
rebelot/schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Language: Python - Size: 451 KB - Last synced at: 4 months ago - Pushed at: about 1 year ago - Stars: 19 - Forks: 7
1ofyouall/Order_parameter_Desmond_public
Order parameter calculations from Desmond Maestro .csv out files
Language: Python - Size: 6.84 KB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 7 - Forks: 0
avimanyu786/TrajectoryMergeAssist
A GUI utility to simplify extended molecular dynamics simulations on Desmond and GROMACS
Language: Python - Size: 160 KB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 1
sunghunbae/mdscribe
A toolset for molecular dynamics
Language: Python - Size: 832 KB - Last synced at: about 4 hours ago - Pushed at: about 4 hours ago - Stars: 1 - Forks: 0
sunghunbae/desmondtools
Tools for Schrodinger Desmond
Language: HTML - Size: 1.93 MB - Last synced at: about 2 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0