diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

소스 보기 computational-chemistry

maintainer

K-Dense-AI

업데이트됨 2026. 3. 3.

스타

18069

포크

1997

quick start

Installation and usage

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

설치

$ install --globalskills.sh

사용법

설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:

skills use diffdock