graph_level_drug_discovery
by ZJULearning
AI summary
Molecule Representation
A Python project that uses machine learning to improve the representation of molecules in drug discovery
- stars
- 60
- forks
- 18
- watching
- 3
- awesome list
- 1
Similar projects
Found by comparing what the projects do, not just their names.
Molecule generator
Automates molecule design and drug discovery using machine learning models
Drug discovery model
Investigating neural networks for drug discovery using multiple chemical descriptors.
Molecular Graph Library
A Python library that provides a robust representation of semantically constrained graphs, specifically for molecules in chemistry.
Molecule Modeling Toolkit
A Julia-based toolkit for graph-based molecule modeling and chemoinformatics analysis
Molecular classifier
An implementation of a molecular representation learning method with substructure invariance for out-of-distribution generalization.
Drug pairing model
A deep learning library for predicting the effects of combining two drugs
qmlcode/qml199
Molecule representation library
A toolkit for representing and learning properties of molecules and solids using quantum machine learning concepts
Molecular data processor
Enables machine learning on three-dimensional molecular structure by providing tools and datasets for working with 3D molecular data
Feature learning toolkit
Matlab codes for feature learning algorithms used in machine learning experiments
Machine Learning Engine
Research on integrating machine learning with emergent runtimes to improve performance and security.
Protein graph library
A software package for constructing and analyzing geometric representations of protein structures and biological interaction networks.
Molecule library
A Python library for designing and manipulating molecules, including automatic design and creation of databases.
Python tutorial collection
A curated list of tutorials and resources for learning Python for data science, machine learning, and other related topics.
priba/nmp_qc340
Graph neural network library
An implementation of neural networks on graph structures for learning molecular properties
Graph classifier
A PyTorch implementation of a semi-supervised graph classification model that learns hierarchical representations from labeled and unlabeled graph data.
Featured in 1 awesome list
Each link jumps to the spot where the list mentions graph_level_drug_discovery.
