MaginnGroup / CassandraLinks
Cassandra is a Monte Carlo package to conduct atomistic simulations.
☆46Updated last year
Alternatives and similar repositories for Cassandra
Users that are interested in Cassandra are comparing it to the libraries listed below
Sorting:
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆56Updated 2 months ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆84Updated this week
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated last month
- ☆44Updated 2 weeks ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated this week
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- Software Suite for Advanced General Ensemble Simulations☆90Updated 2 years ago
- ☆45Updated 5 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated last month
- A scalable and versatile library to generate representations for atomic-scale learning☆82Updated last year
- LAMMPS tutorials for both beginners and advanced users: the article☆28Updated last month
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- MDAnalysis wrapper around Packmol☆33Updated 2 years ago
- code for single-ended and double-ended molecular GSM☆63Updated last month
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆68Updated last year
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated 3 months ago
- ☆11Updated 4 years ago
- Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.☆118Updated 2 weeks ago
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)☆75Updated 3 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- Force field for ionic liquids☆67Updated 3 months ago
- A Python code to quickly derive ab initio parameterized force fields.☆44Updated last year
- Python Cp2k interface☆98Updated 3 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆49Updated last year
- Light-weight tight-binding framework☆159Updated last month
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆21Updated this week
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated last year
- Convert files from the ATB repository to LAMMPS format☆22Updated 3 weeks ago
- ☆111Updated 2 years ago
- Molecular structure optimizer☆125Updated 2 years ago