Official repository for the Boltz biomolecular interaction models
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Jan 13, 2026 - Python
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boltz-2
Here are 6 public repositories matching this topic...
TCR-pMHC repertoire structural predictor — Boltz-2 base + HLA-allele-conditioned head + repertoire ensemble sampling
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May 17, 2026 - Python
A toolkit for molecular generation, QSAR prediction (GNN-based), and physicochemical property–based filtering
exploratory-data-analysis regression gpu-acceleration openbabel qsar chembl molecular-modeling cadd molecular-docking autodock-vina gnn medicinal-chemistry genai virtualscreening boltz-2 endocannabinoid-system cb2-receptor
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Mar 22, 2026 - Jupyter Notebook
AI 신약개발 워크벤치 — PySide6 데스크탑 앱 + 95 API + 39 executors + 6-agent Co-Scientist + LangGraph + Knowledge Graph
knowledge-graph drug-discovery rdkit ai-agents mlflow autodock-vina fastapi alphafold pyside6 langgraph co-scientist boltz-2
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May 14, 2026 - Python
Multi-signal computational pipeline for TBXT G177D (Brachyury), chordoma's master regulator. TBXT Hackathon 2026.
openmm computational-chemistry drug-discovery rdkit qsar virtual-screening mmgbsa rowan autodock-vina gnina chordoma boltz-2 onepot tbxt-hackathon-2026 tbxt hit-identification muni-bio pillar-vc
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May 11, 2026 - Python
Open-source autonomous in silico drug-discovery pipeline for Korean traditional medicine: Boltz-2 + OpenFold3 + AQAffinity + REINVENT4 + OpenMM ABFE + cost-aware multi-fidelity BO scheduler. 19 bioRxiv preprints. Recover Korean Medicine Clinic (Seoul, 2026-08-15 opening) translational anchor.
ai openmm drug-discovery biorxiv dermatology bayesian-optimization natural-products in-silico multi-fidelity admet abfe korean-medicine boltz-2 openfold3 aqaffinity reinvent4
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May 15, 2026 - HTML
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