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1. fine_tune_grover fine_tune_grover Public

   Fine-tuning the GROVER pretrained models for molecular properties prediction.

   Python 4

2. smi2smi smi2smi Public

   RNN and Transformer frameworks for retrosynthesis prediction.

   Python 3 1

3. atomic_fingerprint_generator atomic_fingerprint_generator Public

   Extracting atomic fingerprints from molecules using pretrained Graph Neural Network models (GROVER).

   Python 1

4. fast_api_test fast_api_test Public

   Dockerized repo for article classification featuring pytorch-lightning and FastAPI

   Python

5. multihead_attention_with_bias multihead_attention_with_bias Public

   A Multihead Attention implementation that supports attention bias and auto-regression.

   Jupyter Notebook 1