MoSDeF compatible wrapper for Cassandra Monte Carlo code
☆14Nov 12, 2024Updated last year
Alternatives and similar repositories for mosdef_cassandra
Users that are interested in mosdef_cassandra are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆52Nov 4, 2025Updated 4 months ago
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 4 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 3 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Mar 16, 2026Updated last week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Mar 16, 2026Updated last week
- ☆11Apr 16, 2021Updated 4 years ago
- An example Jupyter Notebook for calculating partial charges using Psi4☆12Dec 5, 2021Updated 4 years ago
- A typo correction and word prediction borrowed from Android, made for Python, Linux, Mac, Windows ...☆17Nov 21, 2019Updated 6 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated this week
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Mar 19, 2026Updated last week
- Examples for the signac framework.☆15Mar 13, 2026Updated last week
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated 8 months ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Jan 23, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Conda recipes for Glotzer Lab software on HPC resources☆12Feb 17, 2026Updated last month
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Mar 16, 2026Updated last week
- Read and write GSD files for use with HOOMD-blue.☆30Mar 19, 2026Updated last week
- Development repository for Kipet.☆22Aug 23, 2022Updated 3 years ago
- Parallel programming with Python exercises☆13Feb 18, 2025Updated last year
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated last year
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Feb 18, 2026Updated last month
- Blackbox derivative-free optimization with DFO-TR algorithm☆26May 8, 2015Updated 10 years ago
- Classical molecular simulation code☆164Jul 13, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Simple Erlang's logger's formatters wrapper that adds colours to the messages☆15Aug 11, 2020Updated 5 years ago
- ☆10Mar 5, 2025Updated last year
- A set of examples to optimize process simulators with Python (PSO) - PyConES 2016☆32Mar 20, 2017Updated 9 years ago
- Examples showing mechanisms of `Maybe` monad and `do-notation`.☆14Jun 29, 2023Updated 2 years ago
- Force field for ionic liquids☆74Dec 19, 2025Updated 3 months ago
- ☆11Jul 18, 2022Updated 3 years ago
- 该项目需将多个eis数据（包含频率、实部、虚部）汇总到一个excel表格中（每个sheet一份数据），可将多个eis数据批量转化为DRT图谱。☆20Sep 19, 2024Updated last year
- Gromacs topology template generator☆15Jul 15, 2021Updated 4 years ago
- Data and analysis related to generational changes in attitudes toward gun control☆10Sep 5, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Investigation of Thermal Runaway Models in MCMB Lithium Ion Batteries☆13Aug 27, 2023Updated 2 years ago
- VenomPred 2.0 API☆11Feb 4, 2026Updated last month
- ☆10Aug 21, 2020Updated 5 years ago
- Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction☆10Apr 13, 2025Updated 11 months ago
- ☆11Aug 30, 2020Updated 5 years ago
- Implementation of the ATProtocol client spec in Elixir.☆17Nov 18, 2024Updated last year