Example scripts using the CSD Python API
☆93Jun 5, 2026Updated this week
Alternatives and similar repositories for csd-python-api-scripts
Users that are interested in csd-python-api-scripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆43Feb 27, 2024Updated 2 years ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- An ecosystem for digital reticular chemistry☆53Sep 10, 2024Updated last year
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 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.
- Encoding chemistry to interpret crystallographic data☆27Updated this week
- ☆18Feb 1, 2023Updated 3 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.☆14Feb 23, 2026Updated 3 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20May 12, 2026Updated 3 weeks ago
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated last month
- Licensed under Academic Non-Commercial Share-Alike License☆20Sep 3, 2025Updated 9 months ago
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Oct 24, 2025Updated 7 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- 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
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last week
- Calculate Sterimol Parameters from Sructure Input/Output Files☆27Jun 2, 2025Updated last year
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Code used in paper for G-loop mining.☆23Feb 23, 2025Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 6 months ago
- Active learning applied to Pd-catalyzed C-N couplings.☆14Feb 21, 2025Updated last year
- ☆18Aug 5, 2023Updated 2 years ago
- ☆22Jan 5, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- RDKit中文教程☆16Jun 21, 2020Updated 5 years ago
- Algorithms to analyze and predict molecular structures☆24Jul 4, 2025Updated 11 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- ☆36Sep 18, 2025Updated 8 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆162Nov 15, 2025Updated 6 months ago
- ☆73Apr 7, 2021Updated 5 years ago
- Extracts data from tables with complicated structures.☆17Mar 14, 2025Updated last year
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆25Aug 28, 2025Updated 9 months ago
- Molecular Crystal Representation from Transformer☆16Dec 19, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Repository for the tmQMg-L dataset files.☆17Feb 25, 2026Updated 3 months ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆52Oct 22, 2023Updated 2 years ago
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- ☆33Aug 3, 2021Updated 4 years ago
- ☆19Jun 29, 2017Updated 8 years ago