Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.
☆37Feb 21, 2024Updated 2 years ago
Alternatives and similar repositories for pumml
Users that are interested in pumml are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆30May 17, 2021Updated 4 years ago
- This repository has properties for different groups of material. The main idea is to provide accesible properties for comparison.☆14Jun 25, 2020Updated 5 years ago
- Post-processing toolkit for electronic structure calculations☆18Mar 17, 2026Updated last week
- PU learning using spies method☆19Mar 21, 2019Updated 7 years ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- ☆10May 2, 2025Updated 10 months ago
- Machine Learning Introduction for a Material Scientist☆20Aug 23, 2021Updated 4 years ago
- Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases☆18Jun 16, 2020Updated 5 years ago
- ☆22Nov 18, 2023Updated 2 years ago
- ☆12Apr 15, 2024Updated last year
- Brent's code for FTIR deconvolution☆12Dec 17, 2020Updated 5 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 4 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆51Feb 23, 2026Updated last month
- Materials Project Documentation☆14Jun 2, 2022Updated 3 years ago
- Positive-unlabeled learning with Python.☆251Updated this week
- Applied Mathematical Methods in Materials Engineering☆27Oct 28, 2025Updated 4 months ago
- A Python library for reading and writing Wannier90 files☆17May 30, 2024Updated last year
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 3 years ago
- Robust Ensemble of SVMs☆21Mar 10, 2014Updated 12 years ago
- 关于PU-Learning的仓库，部分来源于原文的链接。之后会附上。☆25Oct 19, 2022Updated 3 years ago
- ☆12Mar 12, 2023Updated 3 years ago
- ☆17Sep 17, 2025Updated 6 months ago
- A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and che…☆18Aug 13, 2021Updated 4 years ago
- Compilation of libraries and applications made easy☆10Feb 25, 2026Updated 3 weeks ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆22Aug 27, 2024Updated last year
- Autonomous characterization of molecular compounds from small datasets without descriptors☆45Jun 25, 2025Updated 8 months ago
- ☆35Feb 17, 2022Updated 4 years ago
- Very large scale k-mer counting and analysis on Apache Spark.☆18Mar 2, 2026Updated 3 weeks ago
- MACE-OFF23 models☆60Jan 29, 2025Updated last year
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆22Jan 24, 2022Updated 4 years ago
- Public release of data and code for materials synthesis generation☆75Aug 11, 2022Updated 3 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆116Mar 9, 2026Updated 2 weeks ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Non-negative Positive-Unlabeled (nnPU) and unbiased Positive-Unlabeled (uPU) learning reproductive code on MNIST and CIFAR10☆306Dec 13, 2022Updated 3 years ago
- Code for Augment & Reduce, a scalable stochastic algorithm for large categorical distributions☆10May 16, 2018Updated 7 years ago
- Quickly find the affine matrix mapping one image to another using manual correspondence points annotation☆22Aug 6, 2025Updated 7 months ago