joaander / hoomd-examplesLinks
☆15Updated 2 years ago
Alternatives and similar repositories for hoomd-examples
Users that are interested in hoomd-examples are comparing it to the libraries listed below
Sorting:
- python simulation interface for molecular modeling☆101Updated 3 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- A library to interface molecules and machine learning.☆62Updated 6 years ago
- How to analyze molecular dynamics data with PyEMMA☆82Updated 6 years ago
- ML4Chem: Machine Learning for Chemistry and Materials☆100Updated last year
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Updated last year
- Course materials for "Applied AI for Materials Science and Engineering"☆70Updated 3 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 4 years ago
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Updated 3 years ago
- Software Suite for Advanced General Ensemble Simulations☆89Updated 2 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated last month
- Main code repository for FATSLiM☆23Updated 3 years ago
- Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…☆18Updated 8 years ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆67Updated 2 weeks ago
- Python code for learning Molecular Dynamics simulations☆53Updated 5 years ago
- ☆61Updated 5 months ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆19Updated 3 weeks ago
- Quantum Chemistry Web Platform☆71Updated last month
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆26Updated last year
- Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in h…☆11Updated 9 months ago
- A python module for manipulating cartesian and internal coordinates.☆86Updated 3 months ago
- ☆16Updated 5 years ago
- Computational Chemistry Input Generator☆50Updated 3 months ago