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rdkit

Modern RDKit workflows for cheminformatics, including molecular fingerprints, drawing, and property calculations. Use when working with molecules, SMILES, molecular fingerprints (Morgan, ECFP, RDKit, atom pairs, topological torsions), molecule visualization/drawing, substructure search, or chemical property calculations. This skill provides up-to-date syntax patterns as RDKit's API evolves.

diegosouzapw
maintainer
diegosouzapw
আপডেট হয়েছে 3/1/2026
স্টার
17
ফর্ক
5
quick start

Installation and usage

Modern RDKit workflows for cheminformatics, including molecular fingerprints, drawing, and property calculations. Use when working with molecules, SMILES, molecular fingerprints (Morgan, ECFP, RDKit, atom pairs, topological torsions), molecule visualization/drawing, substructure search, or chemical property calculations. This skill provides up-to-date syntax patterns as RDKit's API evolves.

ইনস্টলেশন
$ install --globalskills.sh
ব্যবহার

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

skills use rdkit