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1. MEGADOCK MEGADOCK Public

   An ultra-high-performance protein-protein docking for heterogeneous supercomputers

   C++ 73 36

2. ghostz-gpu ghostz-gpu Public

   A GPU-accelerated sequence homology search tool using database subsequence clustering

   HTML 10 6

3. NRLMFb NRLMFb Public

   NRLMFβ: Bata-distribution-rescored Neighborhood Regularized Logistic Matrix Factorization for Improving Performance of Drug–Target Interaction Prediction

   Python 11 1

4. restretto restretto Public

   REstretto (REuse of sub-STRuctures as an Effective Technique for protein-ligand docking TOol): An virtual screening-oriented protein-ligand docking tool with reuse of fragments

   C++ 7 3

5. BO-DTI BO-DTI Public

   Scripts for "Efficient Hyperparameter Optimization by Using Bayesian Optimization for Drug-Target Interaction Prediction"

   Python 7 3

6. cycpeptmp cycpeptmp Public

   Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides

   Python 31 10