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Vincent-PRO-AI wants to merge 22 commits into
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Bind craft docker ready #354

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4434f2b
🐳 Docker & API setup for RTX GPU inference
Vincent-PRO-AI Jan 18, 2026
4588224
fix: BindCraft pipeline Docker optimization + launch infrastructure
Vincent-PRO-AI Jan 20, 2026
37bd1ab
config: Force RTX 4090 (CUDA:1) for pipeline execution
Vincent-PRO-AI Jan 22, 2026
24cbffb
wip: Debug JAX/ColabDesign GPU initialization in Docker
Vincent-PRO-AI Jan 22, 2026
4345411
fix: JAX/ColabDesign GPU support + Docker config
Vincent-PRO-AI Jan 22, 2026
4718593
fix: Use pip jax[cuda12] wheel instead of conda (has GPU support)
Vincent-PRO-AI Jan 23, 2026
ee2cef8
feat: BindCraft Docker pipeline WORKING - generates peptide structure…
Vincent-PRO-AI Jan 23, 2026
0144464
doc: Add troubleshooting guide - JAX GPU issue & solutions
Vincent-PRO-AI Jan 23, 2026
fd7bcb1
feat: JAX CUDA 0.3.8 + pipeline test script
Vincent-PRO-AI Jan 23, 2026
c7a8c4d
fix: JAX CPU fallback for Docker, disable GPU requirement check
Vincent-PRO-AI Jan 23, 2026
8487d07
feat: use NVIDIA JAX-Toolbox official image for GPU support
Vincent-PRO-AI Jan 23, 2026
7b50bc5
docs: add matplotlib to Dockerfile dependencies
Vincent-PRO-AI Jan 23, 2026
2301c2d
feat: multi-stage Dockerfile with JAX GPU + PyRosetta for full BindCr…
Vincent-PRO-AI Jan 23, 2026
a4e7eb3
docs: add complete Docker pipeline setup with docs
Vincent-PRO-AI Jan 23, 2026
9994d50
feat: Docker BindCraft pipeline - GLP1 peptide generation working
Vincent-PRO-AI Jan 24, 2026
8717b86
feat: Docker pipeline working - BindCraft THP generation
Vincent-PRO-AI Jan 30, 2026
7a9204f
fix: Change 'chain' to 'chains' array format in config and code
Vincent-PRO-AI Jan 30, 2026
5b9598a
fix: Support list format for chain_ids in target_pdb_rmsd
Vincent-PRO-AI Jan 30, 2026
ab5766c
fix: Use string format for chains config, not list
Vincent-PRO-AI Feb 2, 2026
0dcfa06
feat: Add THP_NoFilters config for relaxed acceptance criteria
Vincent-PRO-AI Feb 3, 2026
33c298d
docs: Complete Docker Pipeline Guide - DOCKER_PIPELINE.md
Vincent-PRO-AI Feb 4, 2026
062e0a0
fix: Update docker-compose for native image and pipeline execution
Vincent-PRO-AI Feb 24, 2026

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