Pinned Repositories
ameniCettoL
AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
awesome-computer-vision
A curated list of awesome computer vision resources
Awesome-explainable-AI
A collection of research materials on explainable AI/ML
BionoiNet
Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
Blood_Cell_GAN
DeepSurf
A surface-based deep learning approach for the prediction of ligand binding sites on proteins
LSCweb
OpenMM_MMGBSA
SpliceAI
A deep learning-based tool to identify splice variants
mainguyenanhvu's Repositories
mainguyenanhvu/OpenMM_MMGBSA
mainguyenanhvu/DeepSurf
A surface-based deep learning approach for the prediction of ligand binding sites on proteins
mainguyenanhvu/AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
mainguyenanhvu/Awesome-explainable-AI
A collection of research materials on explainable AI/ML
mainguyenanhvu/BionoiNet
Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
mainguyenanhvu/dython
A set of data tools in Python
mainguyenanhvu/CDPKit_SMILES-to-3dSDF
Convert a list of SMILES molecules to 3D conformers within reasonable time by CDPKit
mainguyenanhvu/Computer_Vision_Docs
mainguyenanhvu/Crack_Windows_Office
mainguyenanhvu/DeepDILI
mainguyenanhvu/DeepPocket
Ligand Binding Site detection using Deep Learning
mainguyenanhvu/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
mainguyenanhvu/GCalendar
mainguyenanhvu/GrASP
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
mainguyenanhvu/kourami
Kourami: Graph-guided assembly for HLA alleles
mainguyenanhvu/LactasePersistence_Interactive_WorldMaps
mainguyenanhvu/Latent-Space-Peptide-Analogues-Generation
mainguyenanhvu/making-it-rain
Cloud-based molecular simulations for everyone
mainguyenanhvu/malt
A simple tool for converting .pdb files to .mol2 files, with the incorporation of Gasteiger atomic partial charges on each atom.
mainguyenanhvu/Nhac
mainguyenanhvu/ppscore
Predictive Power Score (PPS) in Python
mainguyenanhvu/PUResNet
Predicting protein-ligand binding sites using deep convolutional neural network
mainguyenanhvu/SeparatedTopologies
Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).
mainguyenanhvu/target_codes
mainguyenanhvu/TienIchChuViet
mainguyenanhvu/Udemy_scripts
mainguyenanhvu/Umol
Protein-ligand structure prediction
mainguyenanhvu/Var_Annot_Eval
An empirical variant annotation and data evaluation pipeline.
mainguyenanhvu/video_speedup
mainguyenanhvu/youtube-publish-drafts
Publish all your draft videos without clicking by using javascript