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.

S0mbraD / OpenTCM_Discovery

面向中药小分子发现的开源研究工具。检索疾病通路和成分，核对多个公开数据库是否同时收录，并只在文献写明结合口袋时做分子对接。计算结果用来提出可检验的假设。

SamDozer / crc-ca7-rnaseq-docking-md

Colorectal cancer RNA-seq to CA7 zinc-site docking and molecular dynamics