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AI Methods in Advanced Materials Research
Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal conductivity amorphous polymers
Code and data for "Artificial Design of Organic Emitters via a Genetic Algorithm Enhanced by a Deep Neural Network".
A curated list of online chemical engineering education resources
The Block Copolymer Phase Behavior Database (BCDB)
A Bayesian global optimization package for material design | Adaptive Learning | Active Learning
Use ChatGPT to summarize the arXiv papers. 全流程加速科研,利用chatgpt进行论文全文总结+专业翻译+润色+审稿+审稿回复
For the conversion of crystal systems (as cifs) to LAMMPS inputs
Support Information for Thermomechanical Properties of Two-Dimensional Covalent Organic Frameworks Studied by Machine-Learning Molecular Dynamics
Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
A Library for Gaussian Processes in Chemistry
Shared repo for trajectory analysis and infrastructure development
Interpretable machine learning for polymer thermal conductivity (IMLforPTC) prediction via physical feature engineering
Inverse Design of Polymers via Evolutionary Algorithm and Bayesian Optimization
Differentiable, Hardware Accelerated, Molecular Dynamics
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
A python package to calculate thermal conductivity across molecular interfaces.
LAMMPS inputs and data files
A Software Framework for Neuromorphic Computing
周志华《机器学习》又称西瓜书是一本较为全面的书籍,书中详细介绍了机器学习领域不同类型的算法(例如:监督学习、无监督学习、半监督学习、强化学习、集成降维、特征选择等),记录了本人在学习过程中的理解思路与扩展知识点,希望对新人阅读西瓜书有所帮助!
SISSO, AUTOFEAT, Ensemble on MXenes
Molecular dynamics in external potentials using PyLAMMPS
Data and scripts for screening of MOFs for hydrogen storage
Sample codes for my book on molecular dynamics simulation
mxenes
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.