Pinned Repositories
dgl-lifesci
Python package for graph neural networks in chemistry and biology
PyRMD
AI-powered Virtual Screening
delta_LinF9_XGB
WaterNetworkAnalysis
Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis
LUNA
pycaret
An open-source, low-code machine learning library in Python
DeepAffinity
Protein-compound affinity prediction through unified RNN-CNN
AIMSim
A Python toolbox to work with molecular similarity
OnionNet-2
OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
onionnet
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
GattiMh's Repositories
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