Ruibin Liu's repositories
gvp-pytorch
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
covres
Generate a dataset for covalently-modified residue(s)
atom3d
ATOM3D: tasks on molecules in three dimensions
pycaret
An open-source, low-code machine learning library in Python
edgetunnel
在原版的基础上修改了显示 VLESS 配置信息转换为订阅内容。使用该脚本，你可以方便地将 VLESS 配置信息使用在线配置转换到 Clash 或 Singbox 等工具中。
Clifford-Group-Equivariant-Simplicial-Message-Passing-Networks
The implementation of the paper: Clifford Group Equivariant Simplicial Message Passing Networks @ ICLR2024
Molly.jl
Molecular simulation in Julia
graphein
Protein Graph Library
taichi
Productive & portable high-performance programming in Python.
biopandas
Working with molecular structures in pandas DataFrames
pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
JCSV
JCSV: joint CSV data in a single file
biopython
Official git repository for Biopython (originally converted from CVS)
Chemfiles.jl
Julia bindings to chemfiles
nicegui
Create web-based user interfaces with Python. The nice way.
KernelAbstractions.jl
Heterogeneous programming in Julia
ml-glossary
Machine learning glossary
pdbfixer
PDBFixer fixes problems in PDB files
unipdb
Uniprot+PDB cross information
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
AtomsBase.jl
A Julian abstract interface for atomic structures.
NBodySimulator.jl
A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics
SciMLTutorials.jl
Tutorials for doing scientific machine learning (SciML) and high-performance differential equation solving with open source software.
cupy
NumPy & SciPy for GPU