This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
☆11Oct 31, 2024Updated 2 years ago
Alternatives and similar repositories for mpds-ml-labs
Users that are interested in mpds-ml-labs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Browse 7z archives online in the web-browsers☆15Jul 12, 2026Updated 3 months ago
- Python bindings for upgraded FaCT++ description logic reasoner☆31Oct 2, 2026Updated last month
- Parse Corel Draw vector graphics from Python using libcdr☆12Apr 27, 2026Updated 6 months ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- A tool for calculating distortion parameters in coordination complexes.☆20Apr 16, 2026Updated 6 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.
- ☆12Mar 16, 2021Updated 5 years ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Aug 23, 2026Updated 2 months ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Oct 1, 2020Updated 6 years ago
- ☆15Dec 6, 2024Updated last year
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆16Sep 14, 2026Updated last month
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 4 years ago
- A Three.js based crystallographic visualisation tool☆19Feb 3, 2023Updated 3 years ago
- ☆14May 1, 2026Updated 6 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 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.
- Specification of a common REST API for access to materials databases☆110Oct 2, 2026Updated last month
- Collective atomic modulation analysis with irreducible space-group representation☆18Oct 26, 2026Updated last week
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 7 years ago
- A BioMADE Collaboration Project☆13Oct 28, 2025Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆39May 20, 2026Updated 5 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- This repo has the templates needed to build WebXR apps for visualizing and manipulating molecules☆14Mar 7, 2022Updated 4 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- ☆19Jan 27, 2020Updated 6 years 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 OpenAI chatbot for Rocket.Chat written in Go☆14Aug 10, 2023Updated 3 years ago
- ☆10Apr 6, 2018Updated 8 years ago
- An example of multi-GPU, multi-node training under SLURM with MONAI☆12Mar 15, 2022Updated 4 years ago
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 years ago
- Perovskite capping layer code☆14Jun 22, 2020Updated 6 years ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated last year
- The Element Movers Distance for chemical composition similarity☆38Aug 20, 2026Updated 2 months ago
- The Python-JGraphT library☆26Sep 3, 2024Updated 2 years ago
- Superconductors material dataset☆29Dec 5, 2023Updated 2 years 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.
- ☆23Jul 23, 2019Updated 7 years ago
- A molecular viewer augmented reality android app. Designed using Unity and ARCore.☆13Jul 1, 2019Updated 7 years ago
- Crystal structure container and parsers for structure formats.☆40Aug 23, 2026Updated 2 months ago
- Python toolkit to access a Zotero library☆12Feb 9, 2019Updated 7 years ago
- OpenCopilot flows editor☆11Oct 31, 2023Updated 3 years ago
- Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats☆30Jan 9, 2026Updated 9 months ago
- materials.sh☆10Sep 8, 2019Updated 7 years ago