Project Name	Stars	Most Recent Commit	Total Releases	Latest Release	Open Issues	License	Language
Awesome Molecular Docking	85	a year ago				mit
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
Pycontact	34	a year ago	2	September 01, 2020	23	gpl-3.0	Python
Analysis of non-covalent interactions in MD trajectories
Contact_map	31	10 months ago	12	October 28, 2020	9	lgpl-2.1	Python
Contact map analysis for biomolecules; based on MDTraj
Longbow	17	4 years ago			7	other	Python
Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
Schrodinger_utils	12	10 months ago				mit	Python
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Optimus_bind_sample	7	3 years ago			8	mit	Jupyter Notebook
Designed to optimize the time/accuracy trade-off in predicting the effects of mutations on protein-protein binding
Mdms	6	5 years ago	4	September 13, 2019		mit	Python
MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins

Alternatives To Mdms

Select To Compare

Awesome Molecular Docking ⭐ 85

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

most recent commit a year ago

Pycontact ⭐ 34

Analysis of non-covalent interactions in MD trajectories

total releases 2most recent commit a year ago

Contact_map ⭐ 31

Contact map analysis for biomolecules; based on MDTraj

total releases 12most recent commit 10 months ago

Longbow ⭐ 17

Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

most recent commit 4 years ago

Schrodinger_utils ⭐ 12

Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.

most recent commit 10 months ago

Optimus_bind_sample ⭐ 7

Designed to optimize the time/accuracy trade-off in predicting the effects of mutations on protein-protein binding

most recent commit 3 years ago

Mdms ⭐ 6

MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins

total releases 4most recent commit 5 years ago

Suggest An Alternative To MDMS

Alternative Project Comparisons

Mdms vs Awesome Molecular Docking

Mdms vs Pycontact

Mdms vs Contact_map

Mdms vs Longbow

Mdms vs Schrodinger_utils

Mdms vs Optimus_bind_sample

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