BigHugger
sk Skill · K-Dense-AI

boltz

Cofold protein-ligand, protein-protein, and nucleic-acid complexes with Boltz-2, and predict binding affinity with its trained affinity head. Use this skill to build Boltz input YAML, run structure prediction with MSAs, pocket constraints, templates, and modified residues, screen compound libraries by cofolding, and interpret confidence scores (pLDDT, pTM, ipTM, PDE) and affinity output (binder probability and log10…

installs 8w
0
30-day movement
starts with the next reading
Related entries
3
Connections
1
bashPython
Host repository
K-Dense-AI/drug-discovery-agent-skills
Version
1.0
Allowed tools
Read Write Edit Bash
Compatible with
Python >=3.10 and <3.13) and an NVIDIA GPU, 24 GB is a practical minimum for a typical protein-ligand complex
Licence
MIT
Host stars
30
Host language
Python