Ruibin Liu's Projects
ATOM3D: tasks on molecules in three dimensions
A Julian abstract interface for atomic structures.
Automated Machine Learning with scikit-learn
Working with molecular structures in pandas DataFrames
Official git repository for Biopython (originally converted from CVS)
Extract Bio Sequence Information
Get chemistry and biology information in an easy and quick way
Julia bindings to chemfiles
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
The implementation of the paper: Clifford Group Equivariant Simplicial Message Passing Networks @ ICLR2024
Generate a dataset for covalently-modified residue(s)
NumPy & SciPy for GPU
Spatial decomposition without space filling curves
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。
Protein Graph Library
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
Differentiable, Hardware Accelerated, Molecular Dynamics
JCSV: joint CSV data in a single file
Heterogeneous programming in Julia
Machine learning glossary
Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.
Molecular simulation in Julia
A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics
Create web-based user interfaces with Python. The nice way.
PDBFixer fixes problems in PDB files
An open-source, low-code machine learning library in Python
Tensors and Dynamic neural networks in Python with strong GPU acceleration