rdkit / rdkit

The official sources for the RDKit library

KeyboardKit / KeyboardKit

Create amazing custom iOS keyboards with Swift & SwiftUI.

chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more

krispuckett / SiriCardKit

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yxliu971-prog / OQW

本应用是针对于化学实验方案绿色程度的评估系统，它可以根据对应规则对化学实验方案进行打分，并给出绿色可持续的改进建议。具备轻量化，可离线使用，便捷性，可定制化等特点。基于 RDKit、质量衡算、汉森溶解度参数（HSP）和明确的评分规则，同时可以根据个人需要对打分规则进行更改和设计。

K-Dense-AI / drug-discovery-agent-skills

Agent Skills for small-molecule and protein therapeutics: cheminformatics, molecular ML, docking and dynamics, protein design platforms, and target-discovery knowledge graphs.