Featurizes small molecules with Molfeat for QSAR/QSPR, chemical similarity, virtual screening, and molecular ML. Covers ECFP/MACCS fingerprints, RDKit descriptors, pharmacophores, pretrained embeddings, configuration persistence, and mol…
安装方式:打开 GenHub 客户端 → 技能市场 → 搜索「molfeat」→ 一键安装。
评论区
该文章暂未开放评论功能。