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Hi there šŸ‘‹

  • šŸŒ± Iā€™m currently working on graph neural network and structural bioinformatics.
  • šŸ‘Æ Iā€™m looking to collaborate on scientific research and cool python (web) apps.
  • šŸ¤” Iā€™m looking for help with graph neural network.
  • šŸ’¬ Ask me about computationl chemistry, cheminformatics, bioinformatics, machine learning, python, etc.
  • šŸ“« How to reach me: twitter/X

For scientific projects, please check my Google Scholar page.

Ruibin Liu's Projects

biopandas icon biopandas

Working with molecular structures in pandas DataFrames

biopython icon biopython

Official git repository for Biopython (originally converted from CVS)

bioseq icon bioseq

Extract Bio Sequence Information

chembio-info icon chembio-info

Get chemistry and biology information in an easy and quick way

cirpy icon cirpy

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

despace icon despace

Spatial decomposition without space filling curves

jax-md icon jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

jcsv icon jcsv

JCSV: joint CSV data in a single file

moldf icon moldf

Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.

nbodysimulator.jl icon nbodysimulator.jl

A differentiable simulator for scientific machine learning (SciML) with N-body problems, including astrophysical and molecular dynamics

nicegui icon nicegui

Create web-based user interfaces with Python. The nice way.

pytorch icon pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pyuniprot icon pyuniprot

Store the bioinformatic information in a python object given a Uniprot ID

sampl6 icon sampl6

Challenge inputs, details, and results for the SAMPL6 series of challenges

scimltutorials.jl icon scimltutorials.jl

Tutorials for doing scientific machine learning (SciML) and high-performance differential equation solving with open source software.

smartclock icon smartclock

Set reminding and alarms and change settings on a smartphone depending on its current time, location, and calendar events.

taichi icon taichi

Productive & portable high-performance programming in Python.

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