neuron-explorer
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pdb2reaction
pdb2reaction is a Python CLI toolkit for analyzing reaction mechanisms in enzyme complexes and small molecules with machine-learning interatomic potentials (MLIPs), starting from PDB/mmCIF/XYZ/GJF str
Developer toolsPython · ShellGitHub @t-0hmuraOnlineOwner unconfirmed
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- Oct 25
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- Oct 12
- Repository created November 2025
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- Python 99.1%
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Run large AI models on your own PC: Qwen3.8-Flash-Next on Strata's engine, and GLM 5.3 Flash, DeepSeek V4 Flash, LFM2.5, Qwen3.6, Ornith 1.5, Gemma 4, Tiel Coder and MiniCPM-V on a second engine writt