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Python · Protein structure and design
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity. | K-Dense-AI/ | 48k | 1 repo | ~3k | Automated safety check: Notes | MIT | 5 days ago |
| 2 | 2.Gget CLI/Python toolkit for rapid bioinformatics queries. An agent skill from davila7/claude-code-templates. | davila7/ | 33k | 10 repos | ~6.3k | Automated safety check: Pass | MIT | today |
| 3 | 3.Chai1 Structure prediction for protein, nucleic-acid, and small-molecule complexes with the Chai-1 foundation model (Chai Discovery 2024, github.com/chaidiscovery/chai-lab). | JimLiu/ | 228 | 4 repos | ~1.2k | Automated safety check: Pass | Apache-2.0 | 3 mo ago |
| 4 | A skill your agent uses for AlphaFold 3 input preparation, prediction command planning, output interpretation, and Python API inspection. | VectorSpaceLab/ | 331 | — | ~1.2k | Automated safety check: Pass | Apache-2.0 | 1 mo ago |
| 5 | Runs and analyzes molecular dynamics simulations with OpenMM and MDAnalysis. | K-Dense-AI/ | 48k | 1 repo | ~4.7k | Automated safety check: Pass | MIT | 5 days ago |
| 6 | 6.Mosaic Multi-objective, gradient-based protein binder design with Mosaic. | adaptyvbio/ | 164 | 1 repo | ~1.7k | Automated safety check: Pass | MIT | 4 mo ago |
| 7 | Predict B-cell and T-cell epitopes using BepiPred, IEDB tools, and structure-based methods for vaccine and antibody design. | FreedomIntelligence/ | 3.1k | 1 repo | ~2.1k | Automated safety check: Pass | No licence | 2 mo ago |
| 8 | Predict protein structures using modern ML models including AlphaFold3, ESMFold, Chai-1, and Boltz-1. | FreedomIntelligence/ | 3.1k | 1 repo | ~2.5k | Automated safety check: Pass | No licence | 2 mo ago |
| 9 | Protein structure prediction with Boltz-2 (default) or OpenFold3. | ClawBio/ | 1.2k | — | ~1.8k | Automated safety check: Pass | MIT | today |
| 10 | 10.Gget Unified CLI/Python interface for querying genomic, proteomic, structure, and expression data across 20+ bioinformatics databases; use when you need fast, scriptable retrieval by gene/protein IDs or… | aipoch/ | 1.9k | — | ~816 | Automated safety check: Pass | MIT | 23 days ago |
| 11 | Measures geometric properties of protein structures with Biopython Bio.PDB - interatomic distances, distance matrices, bond and dihedral angles (phi/psi/chi, Ramachandran), superposition and RMSD… | GPTomics/ | 1.2k | 1 repo | ~4.9k | Automated safety check: Pass | MIT | 1 mo ago |
| 12 | Maps protein-protein and protein-ligand interfaces with Bio.PDB, computing contact residues and buried surface area (BSA). | GPTomics/ | 1.2k | 1 repo | ~4.2k | Automated safety check: Pass | MIT | 1 mo ago |
| 13 | 13.Esm ESM protein language models for embeddings, sequence scoring, structure prediction, and binder design. | adaptyvbio/ | 164 | — | ~2k | Automated safety check: Pass | MIT | 4 mo ago |
| 14 | 14.Pdb Database Python API for RCSB PDB 3D structures (search, fetch coordinates, metadata). | lamm-mit/ | 246 | — | ~2.7k | Automated safety check: Pass | Apache-2.0 | 1 mo ago |
| 15 | 15.Adaptyv Bio API + Python SDK for ordering cell-free protein expression and binding assays. | jaechang-hits/ | 374 | 1 repo | ~4.7k | Automated safety check: Pass | MIT | 11 days ago |
