Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize data into Pandas dataframes and python dictionaries and plot using Plotly Linear Regression to predict material properties: Performed linear regression using the scikit learn package and predict Young's modulus Vi…
☆15Aug 18, 2021Updated 4 years ago
Alternatives and similar repositories for Machine-Learning-for-Materials-Science-Projects
Users that are interested in Machine-Learning-for-Materials-Science-Projects are comparing it to the libraries listed below
Sorting:
- Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Curre…☆13Jan 15, 2021Updated 5 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- MR elastography with physics-informed neural networks☆15Sep 22, 2023Updated 2 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 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
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Dec 2, 2025Updated 3 months ago
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆23Jul 13, 2023Updated 2 years ago
- Lecture notes and exercises carried out as part of the Quantum Mechanics 1 course taught at Yachay Tech University.☆14Jan 27, 2026Updated last month
- Welcome to the Applied Computational Fluid Dynamics (CFD) Tutorials repository. This repository contains a series of hands-on tutorials d…☆14Nov 10, 2024Updated last year
- Some examples of using pymatgen code☆23Sep 20, 2024Updated last year
- Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving mate…☆28Oct 8, 2021Updated 4 years ago
- 用机器 学习的方法预测二维材料的物理性质☆13Nov 9, 2021Updated 4 years ago
- Computational Finance and FinTech / M.Sc. International Finance / Berlin School of Economics and Law Berlin☆17Jun 9, 2025Updated 9 months ago
- Lecture notes and programming exercises carried out as part of the Computational Physics 1 course taught at Yachay Tech University.☆25Updated this week
- ☆35Sep 18, 2025Updated 5 months ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Jan 22, 2026Updated last month
- All things manipulating, quantifying, and visualizing geochemical data☆13Jan 19, 2024Updated 2 years ago
- Image Analysis of Particles for particle spacing and and size distributions☆11Sep 29, 2018Updated 7 years ago
- 单纯形法，运输问题的Python简单实现。最优化方法课程作业，设计一个可以运行的平台软件，可以选择单纯形、运输问题求解。☆14Jan 5, 2021Updated 5 years ago
- 油藏数值模拟☆12Apr 3, 2018Updated 7 years ago
- Lecture notes and programming exercises carried out as part of the Computational Physics 2 course at Yachay Tech University.☆15Updated this week
- Master thesis - Fuel cell parameters identification and model classification☆10Dec 3, 2019Updated 6 years ago
- My PhD thesis☆12Jan 7, 2020Updated 6 years ago
- Public source code for the Advanced Library Editor☆13Feb 25, 2020Updated 6 years ago
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- This repository contains PUFoam solver, an OpenFOAM solver that is tailored for polyurethane foams expansion by coupling CFD with populat…☆10Apr 28, 2022Updated 3 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Nov 11, 2021Updated 4 years ago
- these file are relevant to the published article "Designing AI-aided analysis and prediction models for nonprecious metal electrocatalyst…☆10Jul 14, 2020Updated 5 years ago
- Model of a PEM electrolyzer to be used in MPC☆13Sep 3, 2021Updated 4 years ago
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- A simple OpenGL 3.2 example using MSVS 2010 and freeglut☆12Feb 4, 2013Updated 13 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 3 years ago
- Scotch pipeline for indel calling.☆10Nov 25, 2019Updated 6 years ago
- High-throughput droplet microfluidic devices with fluorescence detection systems provide several advantages over conventional end-point c…☆12Mar 6, 2019Updated 7 years ago
- AE/ENVE/GEOE/CIVE 121: Computational Method at University of Waterloo☆27Aug 6, 2025Updated 7 months ago
- Development of a numerical model to characterize the coupled energy and mass transfer occur during the process of drying a freshly sliced…☆12Sep 29, 2019Updated 6 years ago