Repositories list

• libcoffee

  Public
  Library for COmpound Filtering via Fragment-based Efficient Evaluation

  Python

  •

  MIT License

  •0•0•3•0•Updated Sep 17, 2025Sep 17, 2025

• 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++

  •

  MIT License

  •3•7•9•1•Updated Jul 25, 2025Jul 25, 2025

• cycpeptmp

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

  bioinformaticsdeep-learningpermeability+ 1cyclic-peptides

  Python

  •

  MIT License

  •7•25•2•0•Updated May 10, 2025May 10, 2025

• docking_automation

  Public
  Python

  •0•0•6•0•Updated Apr 27, 2025Apr 27, 2025

• NNSim

  Public
  Roff

  •

  MIT License

  •1•0•1•0•Updated Aug 29, 2024Aug 29, 2024

• MEGADOCK

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

  bioinformaticsgpucuda+ 2fftwprotein-protein-interaction

  C++

  •

  Other

  •33•67•4•0•Updated Dec 10, 2023Dec 10, 2023

• cycpeptppb

  Public
  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•6•0•0•Updated May 17, 2023May 17, 2023

• kmer-table

  Public
  JavaScript

  •0•0•0•0•Updated Feb 24, 2022Feb 24, 2022

• exprorer

  Public
  EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation

  C++

  •

  GNU General Public License v3.0

  •3•0•0•0•Updated Feb 3, 2022Feb 3, 2022

• NRLMFb

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

  Python

  •

  GNU General Public License v2.0

  •1•11•0•0•Updated Oct 12, 2021Oct 12, 2021

• tsss

  Public
  Homology search software based on two-step seed search strategy

  C++

  •

  MIT License

  •0•0•0•0•Updated Oct 12, 2021Oct 12, 2021

• mpidp

  Public
  A task processing framework implemented in C++ using MPI library

  C++

  •

  Apache License 2.0

  •0•0•0•0•Updated Jan 15, 2020Jan 15, 2020

• megadock_hpccm

  Public
  MEGADOCK with HPC-Container-Maker

  C++

  •1•1•0•0•Updated Dec 24, 2019Dec 24, 2019

• SPDRank

  Public
  Learning-to-Rank Technique based on Ignoring Meaningless Ranking Orders between Compounds

  Python

  •

  MIT License

  •2•3•0•0•Updated Aug 6, 2019Aug 6, 2019

• GMpipeline

  Public
  Python

  •0•1•0•0•Updated Mar 25, 2019Mar 25, 2019

• PAPPION

  Public
  PAPPION: Fast and Accurate Protein-Protein Interaction Predictions by Structural Profiling and Stacking

  Python

  •0•1•0•0•Updated Mar 23, 2019Mar 23, 2019

• BO-DTI

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

  Python

  •

  GNU General Public License v3.0

  •3•7•0•0•Updated Feb 8, 2019Feb 8, 2019

• ghostz

  Public
  GHOSTZ: A high-speed homology search tool to detect remote homologues like BLAST using database subsequence clustering.

  C++

  •

  BSD 2-Clause "Simplified" License

  •2•4•5•1•Updated Oct 16, 2018Oct 16, 2018

• ghostz-gpu

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

  HTML

  •

  BSD 2-Clause "Simplified" License

  •6•10•2•1•Updated Jul 5, 2018Jul 5, 2018