Lambard-ML-Team / MADGUI
User-friendly Graphical User Interface (GUI) developed at the National Institute for Materials Science (NIMS) for performing statistical data analysis, machine learning (ML) modelisation, and composition/process optimisation through active learning assisted by Bayesian optimisation
☆14Updated last month
Alternatives and similar repositories for MADGUI:
Users that are interested in MADGUI are comparing it to the libraries listed below
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆22Updated 5 months ago
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆11Updated last week
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 2 years ago
- ☆11Updated last year
- Superconductors material dataset☆26Updated last year
- Python package to simulate differential absorption spectra of crystals from first principles☆29Updated 2 weeks ago
- Calculation of vibrational spectra with quantum nuclear motion☆10Updated 6 months ago
- ☆9Updated last year
- ☆39Updated 3 weeks ago
- create a glossary out of your manuscript in materials and chemistry – instantly☆11Updated 9 months ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Updated 2 months ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Updated 5 years ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆15Updated 3 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 2 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆10Updated 11 months ago
- A collection of files related to machine learning force fields☆21Updated last year
- ☆20Updated 11 months ago
- Data Science for Materials - Collection of Open Educational Resources☆11Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆12Updated last year
- Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…☆10Updated this week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- Monte Carlo codes to simulate polar domains in hybrid perovskite solar cells☆16Updated 5 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆12Updated 4 months ago
- Tutorial on LLMs and agents☆16Updated 9 months ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆14Updated 2 years ago
- Tools to facilitate NLP of scientific literature☆16Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆32Updated this week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- Visualization for TRI materials network data☆17Updated last year