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1. Uni-Dock Uni-Dock Public

   Uni-Dock: a GPU-accelerated molecular docking program

   C++ 217 45

2. Uni-GBSA Uni-GBSA Public

   An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.

   Python 103 21

3. Uni-Fold Uni-Fold Public

   An open-source platform for developing protein models beyond AlphaFold.

   Python 381 76

4. Uni-pKa Uni-pKa Public

   The official repository of Uni-pKa

   Python 48 7

5. Uni-Dock-Benchmarks Uni-Dock-Benchmarks Public

   Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the Uni-Dock docking system. This repository is intended for use …

   Python 10 1

6. Uni-FEP-Benchmarks Uni-FEP-Benchmarks Public

   Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.

   Python 17 7