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bo-dti

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

cycpeptmp

cycpeptppb

exprorer

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

fragpair-prescreening

ghostz

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

ghostz-gpu

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

gmpipeline

kmer-table

megadock

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

megadock_hpccm

MEGADOCK with HPC-Container-Maker

mpidp

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

nnsim

nrlmfb

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

pappion

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

restretto

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

spdrank

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

tsss

Homology search software based on two-step seed search strategy