Pinned Repositories
AI-Scientist
The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑🔬
AI2BMD
AI-powered ab initio biomolecular dynamics simulation
aimnetnse
AIMNet-NSE model
alphafold3
AlphaFold 3 inference pipeline.
Bert-VITS2
vits2 backbone with multilingual-bert
CP2K-GRRM
DECIMER-Image_Transformer
DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
DECIMER.ai
This repository contains the code for https://decimer.ai
deepmd-mace
MACE plugin for DeePMD-kit
renderCubeFile
Render Gaussian cube files using Blender and Python
PhelanShao's Repositories
PhelanShao/renderCubeFile
Render Gaussian cube files using Blender and Python
PhelanShao/AI-Scientist
The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑🔬
PhelanShao/AI2BMD
AI-powered ab initio biomolecular dynamics simulation
PhelanShao/aimnetnse
AIMNet-NSE model
PhelanShao/alphafold3
AlphaFold 3 inference pipeline.
PhelanShao/Bert-VITS2
vits2 backbone with multilingual-bert
PhelanShao/CP2K-GRRM
PhelanShao/DECIMER-Image_Transformer
DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer
PhelanShao/DECIMER.ai
This repository contains the code for https://decimer.ai
PhelanShao/deepmd-mace
MACE plugin for DeePMD-kit
PhelanShao/dflow
Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.
PhelanShao/dflow-galaxy
A collection of workflows that are built with DFlow.
PhelanShao/DFT-Adsorption-energy-calculation
Cd(Ⅱ) from aqueous solutions
PhelanShao/fpop
cp2k_fpop
PhelanShao/github-slideshow
A robot powered training repository :robot:
PhelanShao/llamamaopt
PhelanShao/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
PhelanShao/mlatom
AI-enhanced computational chemistry
PhelanShao/NAG2G
PhelanShao/PdfTranslator
a useful PDF Translate tool base on LLM/ 一个基于大语言模型的PDF翻译程序
PhelanShao/Uni-Mol
Official Repository for the Uni-Mol Series Methods
PhelanShao/xtb
Semiempirical Extended Tight-Binding Program Package