xiongb-lab Goto Github PK

a-new-english-reading-handbook

《新编英语阅读手册》叶永昌（主编）

alphared

AlphaFold-initiated replica exchange protein docking

carbonmatrix_public

cdgcn

CDGCN (Conditional de novo Drug generative model using Graph Convolution Networks)

clade-2.0

click

A collection of preprepared reactions for RDKit

desert

Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)

diffbindfr

Diffusion model based protein-ligand flexible docking method

drugclip

gpytorch

A highly efficient and modular implementation of Gaussian Processes in PyTorch

ifeature

iFeature is a comprehensive Python-based toolkit for generating various numerical feature representation schemes from protein or peptide sequences. iFeature is capable of calculating and extracting a wide spectrum of 18 major sequence encoding schemes that encompass 53 different types of feature descriptors. Furthermore, iFeature also integrates fi

ilearnplus

iLearnPlus is the first machine-learning platform with both graphical- and web-based user interface that enables the construction of automated machine-learning pipelines for computational analysis and predictions using nucleic acid and protein sequences.

innterfacedesign

mlde

A machine-learning package for navigating combinatorial protein fitness landscapes.

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

papers_for_protein_design_using_dl

List of papers about Proteins Design using Deep Learning

pdbtools

Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.

pmdm

prody

A Python Package for Protein Dynamics Analysis

pysar

Analysing Sequence Activity Relationships (SARs) of protein sequences :microscope: and their mutants using Machine Learning. :computer:

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

scaffold-constrained-generation

upside-md

Coarse-grained molecular dynamics for protein physics

xiongb-lab.github.io

group website