Commit History
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Add PeptiVerse affinity backend
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Add repository contributor guidelines
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TD3B runnability fixes + finetune-on-target + validity samplers (from TD3B-dev)
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Update README.md
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Update notebooks/TD3B_Inference_Demo.ipynb
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Update README.md
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Add Colab demo notebook section to README
chq1155 +1: Claude Opus 4.8 (1M context)Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>5e88b4f -
Reorganize root modules into models/ training/ mcts/ packages
chq1155 +1: Claude Opus 4.8 (1M context)Move library modules out of the cluttered root into role-based folders: - models/: diffusion.py, roformer.py, noise_schedule.py - training/: finetune_utils.py, distributed_utils.py - mcts/: peptide_mcts.py Entry points (inference.py, finetune_multi_target.py) stay at root. Update all imports across td3b/, baselines/, and entry scripts. Fix pre-existing broken import (finetune_distributed_utils -> training.distributed_utils). Update README Code Structure to match. Add .gitignore for __pycache__. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>8d43f08 -
Remove data files, update citation, drop external download links
chq1155 +1: Claude Opus 4.8 (1M context)- Delete data/train.csv and data/test.csv (data not distributed) - Update citation to LMRL Workshop at ICLR 2026 with full author list - Remove Google Drive placeholder link; checkpoints ship in repo Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>1b56a0a
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Update README.md
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Update README.md
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Update README.md
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Update README.md
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Update README.md
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Add Colab inference demo notebook
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Upload data/test.csv
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Upload data/train.csv
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Upload scoring/functions/classifiers/binding-affinity.pt
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Upload checkpoints/direction_oracle.pt
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Upload checkpoints/td3b.ckpt
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Upload checkpoints/pretrained.ckpt
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Upload TD3B code (inference, training, baselines)
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initial commit
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