Comp-science-engineering / TutorialsLinks
☆16Updated 5 years ago
Alternatives and similar repositories for Tutorials
Users that are interested in Tutorials are comparing it to the libraries listed below
Sorting:
- A dissipative particle dynamics (DPD) project.☆13Updated 2 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Updated 3 years ago
- A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…☆25Updated 3 years ago
- Learning free energy landscapes using artificial neural networks☆14Updated 8 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆71Updated 3 years ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- ☆12Updated 5 years ago
- quantum chemistry common driver and databases☆16Updated 3 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Updated 5 years ago
- ☆35Updated 2 years ago
- Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.☆18Updated 3 years ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 9 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Updated last year
- ☆15Updated 2 years ago
- Statistical models to predict new materials☆14Updated 2 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 2 weeks ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆14Updated 4 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Updated 4 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Updated 6 months ago
- ☆14Updated 3 years ago
- kinetic isotope effect prediction with Gaussian☆17Updated 2 years ago
- ☆22Updated 6 years ago
- ☆14Updated 6 years ago
- A simple Lennard-Jones molecular dynamics software☆29Updated last year
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- A Python based code to construct a Sorted Coulomb matrix from Smile strings (CSV input) of molecules . An optional scikit-learn is invoke…☆21Updated 9 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆16Updated 6 months ago