Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
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Apr 16, 2025 - Python
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peptide-design
Here are 24 public repositories matching this topic...
Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
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Dec 7, 2025 - Python
Automated generation of immunogenic peptides from protein structures and molecular docking analysis using AlphaFold2 and AutodockVina.
python bioinformatics molecular-docking protein-structures alphafold2 immunogenic-peptides autodockvina peptide-design
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May 17, 2023 - Jupyter Notebook
GFlowNet-based therapeutic peptide design. Generates diverse, high-quality candidates (5.4x better diversity vs PPO/GRPO) to reduce correlated wet-lab failures. Published method with pre-trained models. Validated on FLIP & Propedia benchmarks.
machine-learning computational-biology pytorch drug-discovery esm protein-engineering gflownet generative-ai peptide-design therapeutic-peptides
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Feb 25, 2026 - Python
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
Rosetta MCP for cyclic peptide design with kic
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Feb 23, 2026 - Python
Source code for Targeting SARS-CoV-2 Receptor Binding Domain and Main Protease with D-peptides
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Oct 16, 2025 - C
Evaluation other methods for macrocyclic design
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Mar 2, 2024 - Python
CPMP MCP server for cyclic peptide membrane permeability prediction
bioinformatics mcp prediction drug-discovery membrane-permeability peptide-design model-context-protocol cyclic-peptide
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Feb 23, 2026 - Python
Cyclic peptide MCP server for cyclic peptide design and analysis
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Mar 1, 2026 - Python
MultiCycGT MCP server for multi-cyclic peptide generation
bioinformatics deep-learning mcp generative-model drug-discovery peptide-design model-context-protocol cyclic-peptide
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Mar 1, 2026 - Python
CyclicCHAMP MCP server for cyclic peptide modeling
bioinformatics mcp drug-discovery molecular-modeling peptide-design model-context-protocol cyclic-peptide
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Mar 1, 2026 - Python
PepFlowww MCP server for peptide flow-based design
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Mar 1, 2026 - Python
PharmPApp MCP server for pharmaceutical peptide property prediction
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Mar 1, 2026 - Python
HighFold3 MCP server for peptide structure prediction
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Mar 1, 2026 - Python
Cyclic peptide builder MCP server
bioinformatics mcp drug-discovery molecular-modeling peptide-design model-context-protocol cyclic-peptide
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Mar 1, 2026 - Python
HighPlay MCP server for high-throughput peptide library analysis
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Mar 1, 2026 - Python
MultiCycPermea MCP server for cyclic peptide permeability prediction
bioinformatics mcp prediction drug-discovery membrane-permeability peptide-design model-context-protocol cyclic-peptide
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Mar 1, 2026 - Python
Multi-phase peptide ML pipeline for hemolysis prediction, generative design, and closed-loop optimization, built on transformers and modern PyTorch tooling.
machine-learning bioinformatics deep-learning transformers pytorch drug-discovery protein-modeling huggingface-transformers peptide-design esm2
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Feb 14, 2026 - Python
RFpeptides MCP server for peptide design
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Feb 23, 2026 - Python
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