https://github.com/LigandPro/hedgehog

Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
https://github.com/LigandPro/hedgehog

boltz2 cheminformatics cli docking drug-design drug-discovery generative-ai generative-chemistry gnina molecular-generation python rdkit retrosynthesis smina tui

Last synced: 2 days ago
JSON representation

Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.

• Host: GitHub
• URL: https://github.com/LigandPro/hedgehog
• Owner: LigandPro
• License: mit
• Created: 2025-07-10T10:54:49.000Z (about 1 year ago)
• Default Branch: main
• Last Pushed: 2026-06-22T10:10:24.000Z (about 1 month ago)
• Last Synced: 2026-07-24T05:07:11.557Z (3 days ago)
• Topics: boltz2, cheminformatics, cli, docking, drug-design, drug-discovery, generative-ai, generative-chemistry, gnina, molecular-generation, python, rdkit, retrosynthesis, smina, tui
• Language: Python
• Homepage: https://hedgehog.ligandpro.ru
• Size: 199 MB
• Stars: 12
• Watchers: 0
• Forks: 2
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Agents: AGENTS.md

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