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1. ohuelab/boltzina ohuelab/boltzina Public

   Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2

   Python 100 10

2. ohuelab/ALLM-Ab ohuelab/ALLM-Ab Public

   ALLM-Ab: Active Learning-Driven Antibody Optimization Using Fine-Tuned Protein Language Models

   Jupyter Notebook 7 1

3. ohuelab/PairMap ohuelab/PairMap Public

   PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations

   Python 17

4. ohuelab/PairMap2 ohuelab/PairMap2 Public

   Python 1

5. anchored_docking_workflow anchored_docking_workflow Public

   An automated configuration code for anchored docking using AutoDock-GPU.

   Python 3 1