Pinned Repositories
ALFATClust
Biological sequence clustering tool with dynamic threshold
alphafold_finetune
Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions
attract
ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)
bioinformatics
:microscope: Path to a free self-taught education in Bioinformatics!
Blind_docking
Experiment script of ICLR MLDD 2023 paper
BLinDPyPr
Perform probe-guided blind docking with FTMap and DOCK6
info
haomingcs's Repositories
haomingcs/alphafold_finetune
Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions
haomingcs/attract
ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)
haomingcs/CAMP
predicting peptide-protein interactions
haomingcs/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
haomingcs/DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
haomingcs/Deeprank-GNN
Graph Network for protein-protein interface
haomingcs/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
haomingcs/DockingPie
A Consensus Docking Plugin for PyMOL
haomingcs/DSDP
Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, several modifications are introduced to PUResNet program. The pose sampling part is similar as AutoDock Vina combined with a number of modifications.
haomingcs/FABind
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
haomingcs/gnina
A deep learning framework for molecular docking
haomingcs/IIDL-PepPI
Interpretable Progressive Transfer Learning for Peptide-Protein-Specific Interaction Profiling based on Biological Sequence Pragmatic Analysis
haomingcs/labodock
LABODOCK: A Colab-Based Molecular Docking Tools
haomingcs/libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
haomingcs/mco
haomingcs/Molecule_format_converter
This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics and drug discovery projects
haomingcs/MolProbity
Protein and nucleic acid validation service
haomingcs/pocket-cfdm
Boosting performance of generative diffusion model for molecular docking by training on artificial binding pockets
haomingcs/pocketoptimizer
Binding pocket optimization based on force fields and docking scoring functions
haomingcs/prql
PRQL is a modern language for transforming data — a simple, powerful, pipelined SQL replacement
haomingcs/PUResNetV2.0
Prediction of ligand binding site
haomingcs/pyfamsa
Cython bindings and Python interface to FAMSA, an algorithm for ultra-scale multiple sequence alignments.
haomingcs/pyhmmer
Cython bindings and Python interface to HMMER3.
haomingcs/qvina
Accurately speed up AutoDock Vina
haomingcs/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
haomingcs/ScreenToGif
🎬 ScreenToGif allows you to record a selected area of your screen, edit and save it as a gif or video.
haomingcs/TankBind
Open source code for TankBind. Galixir Tenchnologies
haomingcs/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
haomingcs/VFLP
VirtualFlow for Ligand Preparation
haomingcs/VFVS
VirtualFlow for Virtual Screening