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Lists (9)
📊 analysis
7 repositories
⭐ cheminformatics
42 repositories
🔮 Future ideas
34 repositories
🌵 Just for fun
Interesting code. It may not necessary, but truely offer a lot fun.2 repositories
💡 molecular symmetry
methods to define the symmtry of a molecule6 repositories
📦 QM_tools
quantum chemistry tools24 repositories
👋 retrosynthesis
7 repositories
🍨 thermochem
solvation property, solubility6 repositories
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steinmanngroup / RMSD_PP_TS
Forked from jensengroup/RMSD_PP_TSLocate TS based on RMSD-PP method
DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers
lenkd / avogadro
Forked from cryos/avogadroAvogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible ren…