rsdefever / eleLinks
A lightweight package with the periodic table of the elements
☆12Updated 4 years ago
Alternatives and similar repositories for ele
Users that are interested in ele are comparing it to the libraries listed below
Sorting:
- Sample molecular simulation workflows using a MoSDeF and community tools☆15Updated 3 years ago
- ☆11Updated 4 years ago
- Read and write GSD files for use with HOOMD-blue.☆27Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆20Updated last year
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆17Updated last week
- Software Suite for Advanced General Ensemble Simulations☆89Updated 2 years ago
- Examples for the signac framework.☆15Updated this week
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆48Updated last month
- Python bindings for TNG file format☆13Updated last month
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆35Updated 2 months ago
- Workflow management for signac-managed data spaces.☆48Updated 4 months ago
- Automatic detection of equilibrated regions of molecular simulations☆17Updated 8 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆137Updated this week
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated last month
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- HOOMD-blue example scripts.☆38Updated last week
- jobflow is a library for writing computational workflows.☆114Updated this week
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Updated 8 years ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆30Updated 2 years ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆98Updated 4 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Updated last year
- A HOOMD-blue component for soft matter simulations.☆25Updated this week
- A hierarchical, component based molecule builder☆202Updated this week
- A scalable and versatile library to generate representations for atomic-scale learning☆82Updated last year
- This library tackles the construction and efficient execution of computational chemistry workflows☆50Updated last year
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 5 years ago
- A simple cube file viewer based on pythreejs☆25Updated 2 years ago
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Updated last month