A Nextflow pipeline for protein binder design
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Apr 17, 2026 - Python
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proteinmpnn
Here are 13 public repositories matching this topic...
A modular, extensible peptide design pipeline with target preparation, backbone generation, sequence design, scoring, and ranking. Full local CPU pipeline, and backend hooks for RFpeptides, ProteinMPNN/LigandMPNN, and ColabFold.
machine-learning bioinformatics computational-biology drug-discovery structure-prediction alphafold colabfold peptide-design rfdiffusion proteinmpnn
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Nov 28, 2025 - Python
Open hotspot-guided de novo protein binder design pipeline integrating OpenMM, BindCraft, ProteinMPNN, and AlphaFold2.
computational-biology structural-bioinformatics immuno-oncology protein-protein-interactions alphafold2 contact-maps de-novo-protein-design bindcraft proteinmpnn protein-binder-design hotspot-mapping oncogenic-interfaces
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Apr 16, 2026 - Jupyter Notebook
Optimized ProteinMPNN for Apple Silicon: 15× speedup with 0% accuracy loss through architecture pruning, batching, and ANE acceleration. Comprehensive benchmarking study of speed-accuracy trade-offs.
benchmark machine-learning bioinformatics deep-learning computational-biology pytorch protein-design mlx coreml protein-engineering graph-neural-networks model-optimization neural-engine apple-silicon proteinmpnn
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Feb 5, 2026 - Python
Molecular dynamic simulation of RFdiffusion/ProteinMPNN designed HMERF mutated titin Ig152/Fn3-119 domain protein binder
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Feb 18, 2026 - Python
Retraining of ProteinMPNN model specifically with acid-stable structures and sequences
protein-stability protein-design inverse-folding protein-engineering proteinmpnn acidophile protein-ph-stability
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Mar 30, 2026
Computational pipeline for measuring protein interior reprogrammability. Identifies chassis candidates where exterior fold is preserved while interior chemistry varies.
bioinformatics ai enzyme synthetic-biology computational-biology protein protein-design enzyme-testing protein-engineering protein-folding alphafold proteinmpnn
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Mar 16, 2026 - Shell
🧬 Lectures for course ML-protein-design
tensorflow pytorch biopython pymol rdkit modeller pytorch-geometric deepchem alphafold2 py3dmol colabfold rfdesign pyfoldx molgan trdesign rfdiffusion proteinmpnn colabdesign dmasif
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Dec 17, 2024 - Jupyter Notebook
Protein binder design GUI
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Apr 13, 2026 - Python
LigandMPNN but with dynamic constraints. This allows the biases applied during inference to adjust to a desired goal during the generation process. Current implementations are for pI targeting and surface patch generation
protein-structure protein protein-design inverse-folding protein-engineering proteinmpnn protein-electrostatics
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Apr 22, 2026 - Python
Manage protein design processes
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Apr 13, 2026 - Shell
🧬 Experiments and setup of RFdiffusion/ProteinMPNN running on macOS Apple Silicon (CPU).
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Dec 31, 2025 - Python
Protein binder mutagenesis GUI
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Apr 21, 2026 - Python
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