A Python package for managing simple chemical species and states
☆23Jan 20, 2025Updated last year
Alternatives and similar repositories for pyvalem
Users that are interested in pyvalem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fusion Library of Analysis Programs☆11May 8, 2026Updated 3 months ago
- cFAC - a forked version of FAC☆26Jul 19, 2026Updated last month
- Collisional-radiative python solver☆36Feb 26, 2026Updated 6 months ago
- My personal code collection of algorithms, data structures, and design patterns in C++ and Python.☆13Jul 24, 2025Updated last year
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 3 months ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆18Apr 29, 2026Updated 4 months ago
- ☆18Jun 19, 2019Updated 7 years ago
- typeset chemical compounds and reactions☆27Feb 19, 2024Updated 2 years ago
- BSE code for core spectroscopy☆25Aug 5, 2025Updated last year
- python codes used for geophysical alarms at AVO☆11Updated this week
- ☆13May 26, 2023Updated 3 years ago
- Chemical equilibrium for electrolytes system in pure python.☆28Mar 29, 2022Updated 4 years ago
- A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.☆25Apr 15, 2026Updated 4 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.
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆21Sep 25, 2024Updated last year
- Shiny app for proteomics data analysis☆14Jul 6, 2021Updated 5 years ago
- An accelerated version of PythTB powered by numba for solving tight-binding models in Condensed Matter Physics.☆20Aug 23, 2021Updated 5 years ago
- Find and apply a reasonable indent rule of the current buffer.☆23Feb 13, 2024Updated 2 years ago
- Pasta Devops - Self-host dockerized applications and deploy projects on VPS☆11Jan 12, 2026Updated 7 months ago
- FAC - Flexible Atomic Code by Ming Feng Gu☆104Aug 26, 2026Updated last week
- ☆33Jul 29, 2026Updated last month
- Main repository for the CP-PAW code☆12Aug 16, 2026Updated 2 weeks ago
- ☆14Jul 11, 2026Updated last month
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Statistical Mechanics for Chemistry and Biology☆13May 4, 2026Updated 3 months ago
- metabolomics/lipidomics data processing☆10Feb 17, 2021Updated 5 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
- ☆12Feb 5, 2024Updated 2 years ago
- Official repo of the Biomeccanica Multiscala course (prof. Marco A. Deriu) - Master Degree in Biomedical engineering, Politecnico di Tori…☆12Jan 2, 2025Updated last year
- BKChem, a molecular drawing and chemical editor (sketching) software: now ported to Python 3☆188Apr 23, 2026Updated 4 months ago
- A code for calculating the standard state thermodynamic properties at a given temperature and pressure.☆33Updated this week
- Yasara Plugin for QM calculations☆15Jul 26, 2026Updated last month
- ☆24Aug 16, 2018Updated 8 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 4 years ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 7 years ago
- The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…☆12Feb 12, 2024Updated 2 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 2 years ago
- ☆11Mar 7, 2023Updated 3 years ago