Molecular visualizer for marimo notebooks
☆16Sep 3, 2026Updated last month
Alternatives and similar repositories for marimol
Users that are interested in marimol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repository for the 2026 RDKit UGM☆24Sep 11, 2026Updated last month
- ☆21May 25, 2026Updated 5 months ago
- Further development of FINALES☆15Mar 6, 2026Updated 7 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Oct 14, 2026Updated 2 weeks ago
- ☆10Sep 26, 2025Updated last year
- 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.
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Attention-based Crystal to Sequence Learning for Density of States Prediction☆14Oct 3, 2023Updated 3 years ago
- Multi-Threaded Bader Charge Partitioning☆18Mar 17, 2026Updated 7 months ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Library for computing anisotropy extension to SOAP descriptors☆13Aug 5, 2026Updated 2 months ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆25Oct 14, 2026Updated last week
- ☆12Sep 21, 2026Updated last month
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 7 months ago
- Interactive distribution widgets for marimo, in the style of wigglystuff☆34Oct 20, 2026Updated last week
- 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.
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated 2 months ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Oct 19, 2026Updated last week
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- LED Analysis Wizard☆11Mar 20, 2026Updated 7 months ago
- Lightweight Python toolkit for molecular structure analysis, visualisation, descriptors, graph export, and coarse-graining.☆14Jun 10, 2026Updated 4 months 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.
- Widgets that can automatically refresh in marimo☆32Nov 10, 2025Updated 11 months ago
- A fast C++ CIF and mmCIF parser☆11Jul 24, 2026Updated 3 months ago
- Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.☆14Feb 23, 2026Updated 8 months ago
- Python package for automated transition metal complex conformer generation☆26Dec 4, 2025Updated 10 months ago
- Source code for the https://workflows.community website☆17Updated this week
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 6 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆63Sep 21, 2026Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Sep 28, 2026Updated 3 weeks ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 3 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.
- ☆18Mar 24, 2025Updated last year
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 11 months ago
- Jupyter Book source files for MSD summer research internship.☆23Jul 6, 2023Updated 3 years ago
- ASE calculator wrapper for g-xTB☆28Jul 4, 2025Updated last year
- ☆24Aug 23, 2026Updated 2 months ago
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 3 years ago
- ☆11Jan 12, 2015Updated 11 years ago