Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
☆12Oct 23, 2021Updated 4 years ago
Alternatives and similar repositories for ase-bimetall
Users that are interested in ase-bimetall are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆10Sep 18, 2021Updated 4 years ago
- Educational code for Density Functional Theory and Quantum Monte Carlo with Python☆20Mar 29, 2019Updated 7 years ago
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Aug 14, 2025Updated 8 months ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- A library to align rigid molecules and clusters☆12Apr 18, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Шаблон отчета по ВКР☆14Apr 28, 2026Updated last week
- parKVFinder-win: thread-level parallel KVFinder for Windows☆10Sep 12, 2024Updated last year
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- These are the famous Uppsala Software Factory programs, rescued into GitHub.☆10Nov 3, 2022Updated 3 years ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆24Jul 23, 2024Updated last year
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- Dealing with slabs for first principles calculations of surfaces☆68Sep 17, 2023Updated 2 years ago
- Jupyter notebooks for CellProfiler and friends☆14Mar 23, 2018Updated 8 years ago
- ReStructuredText Tutorial.☆10Mar 15, 2020Updated 6 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Jupyter widget to plot bandstructure and density of states.☆17Sep 12, 2024Updated last year
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated 2 months ago
- Resources for teaching quantum chemistry courses in Bonn☆42Apr 23, 2026Updated 2 weeks ago
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆13Apr 2, 2026Updated last month
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- parKVFinder: thread-level parallel KVFinder☆15May 9, 2025Updated 11 months ago
- Lesson about time complexity and big O notation☆12Sep 13, 2018Updated 7 years ago
- mdlabbook is a markdown-format lab notebook☆11Jan 11, 2017Updated 9 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆51Apr 13, 2026Updated 3 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆11Oct 2, 2025Updated 7 months ago
- Evaluating batch correction methods for image-based cell profiling☆15Aug 11, 2025Updated 8 months ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- Quantum to Molecular Mechanics (Q2MM)☆26Apr 29, 2026Updated last week
- Fortran bindings to the FLANN library for performing fast approximate nearest neighbor searches in high dimensional spaces.☆15Jun 29, 2025Updated 10 months ago
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 4 years ago
- ☆56Feb 2, 2026Updated 3 months ago
- Example CellProfiler pipelines.☆19Jul 19, 2022Updated 3 years ago
- ☆24Dec 2, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- TDL☆11Mar 27, 2015Updated 11 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆15Nov 21, 2023Updated 2 years ago
- Examples for the freud library.☆14Apr 20, 2026Updated 2 weeks ago
- Codata constants for Fortran, C and Python.☆10Apr 11, 2026Updated 3 weeks ago
- Application for Raman Spectroscopy Analysis☆13Jan 24, 2025Updated last year
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated 8 months ago
- Fortran pre-processor☆19Jan 27, 2026Updated 3 months ago