Results for “smiles”
5 skillsMore results
k-dense-ai Rdkit
Perform cheminformatics tasks including molecular I/O, descriptor calculation, fingerprinting, substructure search, and similarity analysis using the RDKit library.
30.2k · bundle
sstklen Infinite Gratitude
Coordinates multiple research agents to gather information on a topic across GitHub, HuggingFace, papers, competitors, and best practices, then compiles findings into a structured report.
31 · bundle
xmg2024 Justin Sun Perspective
采用孙宇晨的思维框架与表达方式，基于其公开言论和著作提炼的14个核心心智模型、18条决策启发式及表达DNA，用于分析加密行业、审视商业决策并提供反馈。
2 · bundle
k-dense-ai Diffdock
Predict 3D binding poses of small molecule ligands to protein targets using diffusion-based molecular docking, supporting single complexes, batch processing, and virtual screening.
30.2k · bundle