A cross-platform application for visualization of molecular databases.
☆33Mar 5, 2023Updated 3 years ago
Alternatives and similar repositories for stk-vis
Users that are interested in stk-vis 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 Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆287Jan 4, 2026Updated 6 months ago
- A collection of molecular optimisers and property calculators for use with stk.☆24May 18, 2026Updated 2 months ago
- ☆25Dec 15, 2025Updated 7 months ago
- Molecular size calculation based on ellipsoid fitting over N conformers☆17Jan 17, 2022Updated 4 years ago
- rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)☆40Oct 13, 2025Updated 9 months 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.
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- Store your chemical data in a single file!☆13May 7, 2025Updated last year
- ☆11Jan 5, 2022Updated 4 years ago
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- Chemical formatter for Microsoft Office☆11May 17, 2020Updated 6 years ago
- Multipurpose ab initio MD program.☆12Jul 6, 2026Updated 3 weeks ago
- ☆14Sep 4, 2021Updated 4 years ago
- psi4+RDKit☆107May 13, 2025Updated last year
- MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit…☆31Aug 17, 2025Updated 11 months 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.
- Calculation framework☆13Jan 20, 2026Updated 6 months ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆128Jan 14, 2026Updated 6 months ago
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆338Jun 16, 2026Updated last month
- A python module for manipulating cartesian and internal coordinates.☆88Jul 12, 2026Updated 2 weeks ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated last week
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- ☆12Mar 7, 2022Updated 4 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years 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.
- Let's benchmark quantum chemistry packages!☆23Nov 3, 2020Updated 5 years ago
- ☆29Jul 28, 2023Updated 3 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆28Nov 28, 2024Updated last year
- xyz2mol for transition metal complexes.☆20Feb 6, 2026Updated 5 months ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- Data projects in relation to psychedelics therapeutic research☆13Feb 17, 2023Updated 3 years ago
- Program for revealing non-covalent interactions☆37Oct 21, 2022Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Ideas for chemical similarity searches in MongoDB.☆28Feb 8, 2015Updated 11 years ago
- Graph Convolutional Network tools for life science☆11Nov 20, 2020Updated 5 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated 4 months ago
- Geometry optimization code that includes the TRIC coordinate system☆224Jul 19, 2026Updated last week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Jun 26, 2026Updated last month
- A python package for chemical space visualization.☆155Jun 1, 2026Updated last month