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 last year
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:
- A tool for calculating distortion parameters in coordination complexes.☆18Jan 23, 2026Updated 2 months ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Browse 7z archives online in the web-browsers☆15Feb 21, 2026Updated last month
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 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.
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Jan 24, 2026Updated 2 months ago
- Python bindings for upgraded FaCT++ description logic reasoner☆29Apr 2, 2026Updated 2 weeks ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Specification of a common REST API for access to materials databases☆105Feb 6, 2026Updated 2 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Collective atomic modulation analysis with irreducible space-group representation☆18Apr 7, 2026Updated last week
- ☆11Mar 16, 2021Updated 5 years ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 5 years ago
- Machine Learning Package Targeted for Amorphous Materials.☆20Feb 19, 2021Updated 5 years ago
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆50Nov 4, 2025Updated 5 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Different utilities used by our group☆29Feb 6, 2026Updated 2 months ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Mirror of http://zeoplusplus.org/☆13May 3, 2018Updated 7 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- ☆18Jan 27, 2020Updated 6 years ago
- ☆42Feb 21, 2024Updated 2 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Feb 3, 2024Updated 2 years ago
- Derivative structure enumeration library☆82Nov 16, 2024Updated last year
- 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.
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- ☆19May 30, 2019Updated 6 years ago
- An OpenAI chatbot for Rocket.Chat written in Go☆14Aug 10, 2023Updated 2 years ago
- Crystal structure container and parsers for structure formats.☆36Apr 4, 2026Updated last week
- Browser plugin-free CIF visualization: comparison of the open-source engines☆22Jul 17, 2020Updated 5 years ago
- ☆23Jul 23, 2019Updated 6 years ago
- Perovskite capping layer code☆14Jun 22, 2020Updated 5 years ago