Pinned Repositories
ase-espresso
ase interface for Quantum Espresso
Awesome-Scientific-Language-Models
A Curated List of Language Models in Scientific Domains
bondnet
A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
charge_transfer_nnp
Graph neural network potential with charge transfer
cheat
Computational High-Entropy Alloy Tools
DeepLearning_LHY21_Notes
深度学习 李宏毅 2021 学习笔记
gpt_academic
为ChatGPT/GLM提供图形交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持清华chatglm2等本地模型。兼容复旦MOSS, llama, rwkv, newbing, claude, claude2等
HiPRGen
MOBO
data and code for reproducing paper
WWL-GPR
WWL-GPR model (Wasserstein Weisfeiler-Lehman graph kernel with Gaussian Process Regression) for predicting binding motifs and associated adsorption enthalpies of complex adsorbates at transition metals and their alloys
Wenbintum's Repositories
Wenbintum/MOBO_HEAs_data
data and code for reproducing paper
Wenbintum/WWL-GPR
WWL-GPR model (Wasserstein Weisfeiler-Lehman graph kernel with Gaussian Process Regression) for predicting binding motifs and associated adsorption enthalpies of complex adsorbates at transition metals and their alloys
Wenbintum/ase-espresso
ase interface for Quantum Espresso
Wenbintum/Awesome-Scientific-Language-Models
A Curated List of Language Models in Scientific Domains
Wenbintum/bondnet
A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
Wenbintum/charge_transfer_nnp
Graph neural network potential with charge transfer
Wenbintum/cheat
Computational High-Entropy Alloy Tools
Wenbintum/DeepLearning_LHY21_Notes
深度学习 李宏毅 2021 学习笔记
Wenbintum/gpt_academic
为ChatGPT/GLM提供图形交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持清华chatglm2等本地模型。兼容复旦MOSS, llama, rwkv, newbing, claude, claude2等
Wenbintum/HiPRGen
Wenbintum/libbeef
Library for Bayesian error estimation functionals for use in density functional theory codes
Wenbintum/lol
package for dimensionality reduction under supervised data scenarios
Wenbintum/LS-CGCNN-ens
Labeled site representation and ensemble method for binding energy prediction
Wenbintum/Machine-Learning-Collection
A resource for learning about Machine learning & Deep Learning
Wenbintum/MLP-beginners-guide
Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
Wenbintum/ocp
https://opencatalystproject.org/
Wenbintum/ocp_mag
ocp models for modeling magnetic materials
Wenbintum/q-e
Official mirror of Quantum ESPRESSO
Wenbintum/vim-galore
:mortar_board: All things Vim!
Wenbintum/Wenbintum.github.io
blog