CCPBioSim
by CCPBioSim (Organization)
CCPBioSim is a UK based academic community for furthering biomolecular simulation software development.
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Usage Instructions
To install packages from this channel, use the channel temporarily with conda or add it to your .condarc file for configured ongoing access. Learn more
- Temporary
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Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| aiida-amber | 2.3.1 | AiiDA plugin that wraps amber molecular dynamics executables | Oct 2, 2026 | MIT |
| aiida-gromacs | 2.3.1 | A plugin for using GROMACS with AiiDA for molecular dymanics simulations. | Oct 2, 2026 | MIT |
| biosim-extractor | 1.0.1 | Python package for extracting and standardizing metadata from molecular dynamics simulation outputs. | Sep 25, 2026 | MIT |
| biosim-schema | 1.0.1 | Schema for biomolecular simulation metadata. | Sep 24, 2026 | MIT |
| codeentropy | 2.4.3 | Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method. | Aug 26, 2026 | MIT |
| prepmd | 1.0.1 | A utility to automatically prepare structures from the PDB for molecular dynamics simulation | Jul 24, 2026 | GNU Affero General Public License v3.0 |
| sist | 1.1.0 | Stress-Induced Structural Transitions in superhelical DNA. | Sep 29, 2026 | MIT |