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:
- ☆20Updated 6 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…☆24Updated 3 years ago
- ☆12Updated 5 years ago
- The summer training course on the Bayesian Optimization☆27Updated 2 years ago
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- ☆14Updated 3 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆44Updated 4 years ago
- Learning free energy landscapes using artificial neural networks☆14Updated 7 years ago
- quantum chemistry common driver and databases☆16Updated 2 years ago
- Amons-based quantum machine learning for quantum chemistry☆25Updated 2 weeks ago
- A simple Lennard-Jones molecular dynamics software☆28Updated last year
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆14Updated 6 years ago
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆31Updated 9 months ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆34Updated 3 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Updated 3 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated last year
- ☆14Updated 6 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆19Updated 3 weeks ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Updated 4 years ago
- ☆15Updated 2 years ago
- Python wrapper for packmol molecule packing program☆12Updated 9 years ago
- Implementation of a machine learned density functional☆35Updated last year
- 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
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated last week
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 9 years ago
- A mini-course offered to Undergrad chemistry students☆21Updated 3 years ago