chq1155 Claude Opus 4.8 (1M context) commited on
Commit Β·
1b56a0a
1
Parent(s): 3c76e24
Remove data files, update citation, drop external download links
Browse files- 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>
- README.md +7 -12
- data/test.csv +0 -0
- data/train.csv +0 -0
README.md
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@@ -21,9 +21,7 @@ pip install -e .
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## Data and Checkpoints
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Place the files as follows:
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```
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TD3B/
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β βββ pretrained.ckpt # Pre-trained MDLM weights
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β βββ td3b.ckpt # Fine-tuned TD3B model
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β βββ direction_oracle.pt # Direction Oracle weights
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βββ data/
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β βββ train.csv # Training set (target-binder pairs)
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β βββ test.csv # Test set
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βββ scoring/functions/classifiers/
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β βββ binding-affinity.pt
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β βββ hemolysis-xgboost.json
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```bibtex
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@inproceedings{
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}
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```
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## Data and Checkpoints
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The checkpoints ship with this repository. The expected layout is:
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```
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TD3B/
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β βββ pretrained.ckpt # Pre-trained MDLM weights
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β βββ td3b.ckpt # Fine-tuned TD3B model
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β βββ direction_oracle.pt # Direction Oracle weights
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βββ scoring/functions/classifiers/
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β βββ binding-affinity.pt
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β βββ hemolysis-xgboost.json
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```bibtex
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@inproceedings{
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cao2026tdb,
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title={{TD}3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation},
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author={Hanqun Cao and Aastha Pal and Sophia Tang and Yinuo Zhang and Jingjie Zhang and Pheng-Ann Heng and Pranam Chatterjee},
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booktitle={Learning Meaningful Representations of Life (LMRL) Workshop at ICLR 2026},
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year={2026},
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url={https://openreview.net/forum?id=uMUicLylVp}
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}
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```
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data/test.csv
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data/train.csv
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