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GitHub / jag1g13 / pycgtool
Generate coarse-grained molecular dynamics models from atomistic trajectories.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/jag1g13%2Fpycgtool
Stars: 52
Forks: 10
Open Issues: 5
License: gpl-3.0
Language: Python
Repo Size: 6.39 MB
Dependencies:
121
Created: over 8 years ago
Updated: 6 months ago
Last pushed: over 1 year ago
Last synced: 6 months ago
Topics: coarse-grained-molecular-dynamics, computational-chemistry, gromacs, molecular-dynamics, python, science
Files
Dependencies
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- astunparse 1.6.2
- cowsay ^4.0
- mdplus ^0.0.5
- mdtraj ^1.9.5, !=1.9.6
- myst-parser ^0.13.5
- numpy --- - !ruby/hash:ActiveSupport::HashWithIndifferentAccess version: "^1.19.1" python: "<3.7" - !ruby/hash:ActiveSupport::HashWithIndifferentAccess version: "^1.20.0" python: ">=3.7"
- python ^3.6.2
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