aimat-lab Goto Github PK
Name: Artificial Intelligence for Materials Science group
Type: Organization
Blog: https://aimat.science
Name: Artificial Intelligence for Materials Science group
Type: Organization
Blog: https://aimat.science
Repo for the paper publishing the superconductor database with 3D crystal structures.
Bachelor Thesis of Meret Unbehaun, Topic: Active Learning strategies for Machine Learned potentials
Bachelor Thesis of Meret Unbehaun, Topic: Active Learning strategies for Machine Learned potentials
AutoML for chemistry/materials
An overview over chemical datasets and where to find them
Code for the paper "Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations" (ICML 2024)
A python implementation of a Crystal Structure based on pymatgen
Graph convolutions in Keras with TensorFlow, PyTorch or Jax.
Minimal implementation of graph attention student model architecture
This project provides benchmark-performances for materials science applications including Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Quantum Computation (QC) and Experiments (EXP) methods.
Using Large Language Models for Zero-Shot Data Extraction from Scientific Literature
Client-Server Web App to introduce usage of ML in materials science to beginners
Extracting global concept explanations from the self-explaining MEGAN model
Segmentation for microdroplet arrays used in screening experiments.
Machine Learning methods for high entropy oxides
Contains code to train neural networks based on simulated powder XRDs from synthetic crystals.
Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.
Draft of a paper presenting and discussing a dataset that is currently being assembled by the AiMat group at KIT. It will be released for public and free use as soon as possible.
Public package index for the AIMat Lab.
Code for paper "Accelerating the discovery of materials for integrated/complex device"
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
Datasets for the training of graph neural networks (GNNs) and subsequent visualization of attributional explanations of XAI methods
Python library for XrdPatterns including file import, file export and postprocessing functionalities
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.