K_AI_Trial_02_RDKit_EnumerateHeterocycles
K-AIに頼んでRDKitのPython Scriptを実行できるように修正してもらう体験の記録です
URL: Py4Chemoinformatics_ヘテロシャッフリングをしてみる https://github.com/Mishima-syk/py4chemoinformatics/blob/master/ch05_rdkit.asciidoc#%E3%83%98%E3%83%86%E3%83%AD%E3%82%B7%E3%83%A3%E3%83%83%E3%83%95%E3%83%AA%E3%83%B3%E3%82%B0%E3%82%92%E3%81%97%E3%81%A6%E3%81%BF%E3%82%8B
Nodes
- Molecule Type Cast2 ×
- Molecule Widget (Labs)2 ×
- RDKit From Molecule2 ×
- Conda Environment Propagation1 ×
- Python Script1 ×
- Show all 6 nodes
Extensions
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureKNIME Conda Integration
- FeatureKNIME Python Integration
- FeatureKNIME Quick Forms
- Show all 6 modules
Links
- No links available