Amateurish molecular electronic structure program.(for linux)
☆24Nov 1, 2016Updated 9 years ago
Alternatives and similar repositories for Amesp
Users that are interested in Amesp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 9 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- Molecular and crystal electromagnetic properties☆25May 5, 2025Updated 11 months ago
- code for single-ended and double-ended molecular GSM☆67Feb 21, 2026Updated last month
- Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian☆23Nov 27, 2020Updated 5 years ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 8 months ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated 3 weeks ago
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 2 months ago
- 复旦大学学位Typst论文模板,覆盖本科、硕士、博士三种学位类型,同时支持学术学位与专业学位两种类别。☆24Mar 19, 2026Updated 3 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆25Nov 5, 2025Updated 5 months ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- ☆10Sep 27, 2024Updated last year
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- A demonstration of Hartree Fock program☆14Jan 20, 2023Updated 3 years ago
- Brilliantly Advanced General Electronic-structure Library☆120Mar 31, 2025Updated last year
- Mathematical & chemical routines e.g. nonlinear optimization etc. with c++ & python frontend☆11Oct 30, 2021Updated 4 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 2 months 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 Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 2 years ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆28Apr 13, 2023Updated 3 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 4 years ago
- ☆53Jul 13, 2022Updated 3 years ago
- eXtended Equivairant Graph Neural Network☆15Jul 23, 2025Updated 8 months ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Feb 6, 2025Updated last year
- Simple small molecular docking and conformation filtering tool.☆13Updated this week
- Quantum Chemistry Web Platform☆75Mar 20, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- GUI4dft - first free SIESTA oriented GUI☆28Apr 2, 2026Updated last week
- ☆40Feb 4, 2026Updated 2 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 5 years ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 3 months ago
- WEST code☆33Mar 3, 2026Updated last month