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GitHub / kevinshen56714 / Polymer-Molecular-Dynamics
Modern, fast, python framework for building LAMMPS input and data files for predicting polymer properties
Stars: 1
Forks: 0
Open Issues: 0
License: mit
Language: Python
Repo Size: 4.15 MB
Dependencies:
1,022
Created: 4 months ago
Updated: 4 months ago
Last pushed: 4 months ago
Last synced: 4 months ago
Topics: computing, computing-framework, data-science, high-performance-computing, informatics, lammps, lammps-data, lammps-input, machine-learning, machine-learning-pipelines, materials-informatics, molecular-dynamics, molecular-dynamics-simulation, polymer, pypi, pypi-package, python, python-library, python3, simulations
Files
Dependencies
- @docusaurus/core 2.0.0-beta.18
- @docusaurus/preset-classic 2.0.0-beta.18
- @mdx-js/react ^1.6.22
- clsx ^1.1.1
- prism-react-renderer ^1.3.1
- react ^17.0.2
- react-dom ^17.0.2
- emc-pypi >=2023.8.2
- importlib-metadata *
- inquirer >=2.9.2
- matplotlib >=3.0
- numpy >=1.0
- pandas >=1.0
- pyyaml >=5.0
- rdkit >=2022.3.3
- scikit-learn >=1.0
- scipy >=1.0