Website documentation for the VeloxChem program.
☆18Oct 14, 2026Updated this week
Alternatives and similar repositories for vlxman
Users that are interested in vlxman are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- eChem: Jupyter book on theoretical chemistry☆114Sep 12, 2026Updated last month
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆67Updated this week
- ☆12Apr 16, 2021Updated 5 years ago
- ☆21Sep 23, 2025Updated last year
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆38Jun 16, 2026Updated 4 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Computational Chemistry Input Generator☆53Jun 11, 2026Updated 4 months ago
- 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 3 years ago
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆18Feb 11, 2025Updated last year
- The files used for Series: Quantum chemistry calculations with python☆24Jul 19, 2023Updated 3 years ago
- The core of the SEAMM environment and graphical interface.☆17Oct 5, 2026Updated last week
- Machine learning framework for electronic structure prediction of molecules☆19Sep 5, 2017Updated 9 years ago
- molecular mechanics optimisation☆18Aug 28, 2023Updated 3 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years 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.
- Crawford's Quantum Chemistry Exercises by Python approach☆34Jul 10, 2022Updated 4 years ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆17Updated this week
- ☆11Oct 1, 2025Updated last year
- Quantum to Molecular Mechanics (Q2MM)☆25Sep 4, 2026Updated last month
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- ☆12Jun 11, 2026Updated 4 months ago
- optking: A molecular geometry optimization program☆27Jun 1, 2026Updated 4 months ago
- Using quantum chemical computation to find important reactions without requiring human intuition.☆21May 9, 2018Updated 8 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆12Sep 2, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆15Feb 20, 2025Updated last year
- Python script that scrapes GitHub repositories to keep track of total clone counts. This is useful for projects that are NSF funded, wher…☆19May 13, 2023Updated 3 years ago
- 3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.☆16Feb 10, 2020Updated 6 years ago
- blend molecules!☆45Oct 13, 2025Updated last year
- Python tools to handle CP2K output files☆55Updated this week
- NMR Chemical Shifts from Molecular Dynamics Simulation☆15Sep 17, 2021Updated 5 years ago
- QM/MM interfacing in Python☆10Feb 12, 2019Updated 7 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated last year
- 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 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Automatic MR based on PySCF☆18Updated this week
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 6 months ago
- RPMD and rate constant calculations on black-box and machine-learning potential energy surfaces☆17Sep 15, 2026Updated last month
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 3 years ago
- A collection of frequency scale factors from various sources.☆17Mar 15, 2023Updated 3 years ago
- ☆12Oct 9, 2025Updated last year
- The App Store for VMD extensions.☆15Jan 14, 2023Updated 3 years ago