home/categories/computational-chemistry/internscience-chemclaw-skills-boron-nmr-predict-skill-md
computational-chemistryresearch

boron-nmr-predict

Predict 11B (boron-11) NMR chemical shift for boron-containing molecules using a local CPU inference pipeline. Use when the user asks to predict boron NMR or 11B chemical shift and provides a molecule such as a SMILES string. The skill can download model weights from Hugging Face on first use, run local CPU inference, and generate a labeled molecule image so each predicted shift can be matched to a specific boron atom.

InternScience
maintainer
InternScience
আপডেট হয়েছে 3/26/2026
স্টার
33
ফর্ক
11
quick start

Installation and usage

Predict 11B (boron-11) NMR chemical shift for boron-containing molecules using a local CPU inference pipeline. Use when the user asks to predict boron NMR or 11B chemical shift and provides a molecule such as a SMILES string. The skill can download model weights from Hugging Face on first use, run local CPU inference, and generate a labeled molecule image so each predicted shift can be matched to a specific boron atom.

ইনস্টলেশন
$ install --globalskills.sh
ব্যবহার

ইনস্টল করার পর, টার্মিনালে নিচের কমান্ড চালিয়ে আপনি এই স্কিল ব্যবহার করতে পারবেন:

skills use boron-nmr-predict