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76 followers · 46 following

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@openclaw

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Achievement: Public SponsorAchievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: YOLOAchievement: Starstruck

Achievements

Achievement: Public SponsorAchievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: YOLOAchievement: Starstruck

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PhelanShao/README.md

Phelan Shao

Computational Scientist × AI Engineer

Currently building Solrizon — intelligent tools for scientific research.

 

Work

Science
Molecular simulation, enhanced sampling, DFT, force fields, toxicity prediction.

AI
LLM agents, RAG pipelines, scientific automation, multi-modal reasoning.

Engineering
Full-stack (React / Node / TypeScript), containerized deployment, system design.

 

 

Stack

Python · TypeScript · Fortran · React · Node.js · Docker · PyTorch · DFT · GROMACS

 

"The best way to predict the future is to compute it."

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  1. openmm-mcp-server openmm-mcp-server Public

    OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communication interface for task submission, management, and execution.

    Python 32 9

  2. reaction_network reaction_network Public

    ReacNet Analyzer Pro v2.0 Client: A tool for visualizing chemical reactions in networks

    4 1

  3. tox-agents tox-agents Public

    Toxicity prediction agents

    HTML 65 21

  4. ToxD4C ToxD4C Public

    A hybrid deep learning framework for toxicity prediction

    Python 16 2

  5. plumed2-mcp-server plumed2-mcp-server Public

    PLUMED2 Smart Input Generator - An MCP-based assistant for molecular dynamics enhanced sampling configurations that automatically generates optimized PLUMED input files, supporting metadynamics, um…

    Python 10 5

  6. triton triton Public

    Forked from triton-lang/triton

    Development repository for the Triton language and compiler

    MLIR