zhengyongping Goto Github PK

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zhengyongping's Projects

Things that you should (and should not) do in your Materials Informatics research.

Policies of scientific publisher and conferences towards large language model (LLM), such as ChatGPT

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

Tutorials for dfttk(https://github.com/PhasesResearchLab/dfttk)

Utility for applying the distortion symmetry method.

坚持分享 GitHub 上高质量、有趣实用的开源技术教程、开发者工具、编程网站、技术资讯。A list cool, interesting projects of GitHub.

leaked prompts of GPTs

TensorFlow based code to predict total energy of crystal structures using a graph based CNN

Distributed PyTorch implementation of multi-headed graph convolutional neural networks

scripts to load all data from ICSD, Materials Project, and OQMD

The repository contains few notebooks containing Monte-carlo methods of various kiunds

Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble

https://opencatalystproject.org/

Crystal graph convolutional neural networks for predicting material properties.

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

A Highly Opinionated List of Open Source Materials Informatics Resources

Free access to academic papers with just a single click! Abolish publishers, long live the open access movement! 🦅